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Patent code US10150751

Compile Data Set for Download or QSAR
Found 82 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Orexin receptor type 2


(Homo sapiens (Human))
BDBM307593
PNG
(US10150751, Example 31)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1cc(Br)ccn1
Show InChI InChI=1S/C19H19BrN6O/c1-13-10-15(24-18-11-14(20)6-7-21-18)12-25(13)19(27)16-4-2-3-5-17(16)26-22-8-9-23-26/h2-9,11,13,15H,10,12H2,1H3,(H,21,24)/t13-,15-/m1/s1
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n/an/a 11.2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307575
PNG
(US10150751, Example 9)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1cc(ccn1)C(F)F
Show InChI InChI=1S/C20H20F2N6O/c1-13-10-15(26-18-11-14(19(21)22)6-7-23-18)12-27(13)20(29)16-4-2-3-5-17(16)28-24-8-9-25-28/h2-9,11,13,15,19H,10,12H2,1H3,(H,23,26)/t13-,15-/m1/s1
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n/an/a 13.6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307600
PNG
(US10150751, Example 38)
Show SMILES COC(=O)c1c(N[C@@H]2C[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C22H21N7O3/c1-14-11-16(27-20-19(22(31)32-2)15(12-23)7-8-24-20)13-28(14)21(30)17-5-3-4-6-18(17)29-25-9-10-26-29/h3-10,14,16H,11,13H2,1-2H3,(H,24,27)/t14-,16-/m1/s1
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n/an/a 14.6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307577
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,4R)-4- (isoq...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1nccc2ccccc12
Show InChI InChI=1S/C23H22N6O/c1-16-14-18(27-22-19-7-3-2-6-17(19)10-11-24-22)15-28(16)23(30)20-8-4-5-9-21(20)29-25-12-13-26-29/h2-13,16,18H,14-15H2,1H3,(H,24,27)/t16-,18-/m1/s1
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n/an/a 15.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307583
PNG
(2-(((3R,5R)-1-(2-(2H-1,2,3-triazol-2- yl)benzoyl)-...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1cc(ccn1)C#N
Show InChI InChI=1S/C20H19N7O/c1-14-10-16(25-19-11-15(12-21)6-7-22-19)13-26(14)20(28)17-4-2-3-5-18(17)27-23-8-9-24-27/h2-9,11,14,16H,10,13H2,1H3,(H,22,25)/t14-,16-/m1/s1
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n/an/a 22.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307579
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,4R)-4- ((4-c...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1cc(Cl)ccn1
Show InChI InChI=1S/C19H19ClN6O/c1-13-10-15(24-18-11-14(20)6-7-21-18)12-25(13)19(27)16-4-2-3-5-17(16)26-22-8-9-23-26/h2-9,11,13,15H,10,12H2,1H3,(H,21,24)/t13-,15-/m1/s1
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n/an/a 23.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307598
PNG
(US10150751, Example 36)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1nccc(C#N)c1C
Show InChI InChI=1S/C21H21N7O/c1-14-11-17(26-20-15(2)16(12-22)7-8-23-20)13-27(14)21(29)18-5-3-4-6-19(18)28-24-9-10-25-28/h3-10,14,17H,11,13H2,1-2H3,(H,23,26)/t14-,17-/m1/s1
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n/an/a 23.6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307587
PNG
(US10150751, Example 24)
Show SMILES COc1ccnc(N[C@@H]2C[C@@H](C)N(C2)C(=O)c2ccccc2C2(CC2)C#N)c1
Show InChI InChI=1S/C22H24N4O2/c1-15-11-16(25-20-12-17(28-2)7-10-24-20)13-26(15)21(27)18-5-3-4-6-19(18)22(14-23)8-9-22/h3-7,10,12,15-16H,8-9,11,13H2,1-2H3,(H,24,25)/t15-,16-/m1/s1
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n/an/a 23.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307578
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,4R)-2- methy...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C20H19F3N6O/c1-13-10-15(27-18-11-14(6-7-24-18)20(21,22)23)12-28(13)19(30)16-4-2-3-5-17(16)29-25-8-9-26-29/h2-9,11,13,15H,10,12H2,1H3,(H,24,27)/t13-,15-/m1/s1
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n/an/a 26.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307594
PNG
(US10150751, Example 32)
Show SMILES COC(=O)c1c(OC)ccnc1N[C@@H]1C[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H24N6O4/c1-14-12-15(26-20-19(22(30)32-3)18(31-2)8-9-23-20)13-27(14)21(29)16-6-4-5-7-17(16)28-24-10-11-25-28/h4-11,14-15H,12-13H2,1-3H3,(H,23,26)/t14-,15-/m1/s1
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n/an/a 29.7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307592
PNG
(2-(((3R,5R)-5-Methyl-1-(2- (pyrimidin-2-yl)benzoyl...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-c1ncccn1)Nc1cc(ccn1)C#N
Show InChI InChI=1S/C22H20N6O/c1-15-11-17(27-20-12-16(13-23)7-10-24-20)14-28(15)22(29)19-6-3-2-5-18(19)21-25-8-4-9-26-21/h2-10,12,15,17H,11,14H2,1H3,(H,24,27)/t15-,17-/m1/s1
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n/an/a 31.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307595
PNG
(US10150751, Example 33)
Show SMILES CCOC(=O)c1c(OC)ccnc1N[C@@H]1C[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H26N6O4/c1-4-33-23(31)20-19(32-3)9-10-24-21(20)27-16-13-15(2)28(14-16)22(30)17-7-5-6-8-18(17)29-25-11-12-26-29/h5-12,15-16H,4,13-14H2,1-3H3,(H,24,27)/t15-,16-/m1/s1
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n/an/a 31.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307585
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,4R)- 4-((4-e...)
Show SMILES CCOc1ccnc(N[C@@H]2C[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1
Show InChI InChI=1S/C21H24N6O2/c1-3-29-17-8-9-22-20(13-17)25-16-12-15(2)26(14-16)21(28)18-6-4-5-7-19(18)27-23-10-11-24-27/h4-11,13,15-16H,3,12,14H2,1-2H3,(H,22,25)/t15-,16-/m1/s1
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n/an/a 31.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307588
PNG
(US10150751, Example 25)
Show SMILES COc1cccnc1N[C@@H]1C[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H22N6O2/c1-14-12-15(24-19-18(28-2)8-5-9-21-19)13-25(14)20(27)16-6-3-4-7-17(16)26-22-10-11-23-26/h3-11,14-15H,12-13H2,1-2H3,(H,21,24)/t14-,15-/m1/s1
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n/an/a 36.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307584
PNG
(US10150751, Example 20)
Show SMILES CC(C)Oc1ccnc(N[C@@H]2C[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1
Show InChI InChI=1S/C22H26N6O2/c1-15(2)30-18-8-9-23-21(13-18)26-17-12-16(3)27(14-17)22(29)19-6-4-5-7-20(19)28-24-10-11-25-28/h4-11,13,15-17H,12,14H2,1-3H3,(H,23,26)/t16-,17-/m1/s1
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n/an/a 39.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307601
PNG
(US10150751, Example 39)
Show SMILES COc1c(N[C@@H]2C[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C21H21N7O2/c1-14-11-16(26-20-19(30-2)15(12-22)7-8-23-20)13-27(14)21(29)17-5-3-4-6-18(17)28-24-9-10-25-28/h3-10,14,16H,11,13H2,1-2H3,(H,23,26)/t14-,16-/m1/s1
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n/an/a 40.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307608
PNG
(((2S,4S)-4-((4-methoxypyridin-2- yl)amino)-2-methy...)
Show SMILES COc1cccnc1N[C@@H]1C[C@@H](C)N(C1)C(=O)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C19H20F3N3O3/c1-12-10-13(24-17-16(27-2)8-5-9-23-17)11-25(12)18(26)14-6-3-4-7-15(14)28-19(20,21)22/h3-9,12-13H,10-11H2,1-2H3,(H,23,24)/t12-,13-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307568
PNG
(US10150751, Example 1)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1C1(CCC1)C#N)Nc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C24H26F2N4O2/c1-16-11-17(29-22-12-18(7-10-28-22)32-14-21(25)26)13-30(16)23(31)19-5-2-3-6-20(19)24(15-27)8-4-9-24/h2-3,5-7,10,12,16-17,21H,4,8-9,11,13-14H2,1H3,(H,28,29)/t16-,17-/m1/s1
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n/an/a 58.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307569
PNG
(1-(2-((2R,4R)-4-((4-(2,2- difluoroethoxy)pyridin-2...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)Nc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C23H24F2N4O2/c1-15-10-16(28-21-11-17(6-9-27-21)31-13-20(24)25)12-29(15)22(30)18-4-2-3-5-19(18)23(14-26)7-8-23/h2-6,9,11,15-16,20H,7-8,10,12-13H2,1H3,(H,27,28)/t15-,16-/m1/s1
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n/an/a 65.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307596
PNG
(Methyl 2-(((3R,5R)-1-(2-(2H- 1,2,3-triazol-2-yl)be...)
Show SMILES CCOc1ccnc(N[C@@H]2C[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1C(=O)OC
Show InChI InChI=1S/C23H26N6O4/c1-4-33-19-9-10-24-21(20(19)23(31)32-3)27-16-13-15(2)28(14-16)22(30)17-7-5-6-8-18(17)29-25-11-12-26-29/h5-12,15-16H,4,13-14H2,1-3H3,(H,24,27)/t15-,16-/m1/s1
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n/an/a 66.2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307589
PNG
(US10150751, Example 27)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccsc1-n1nccn1)Nc1cc(ccn1)C(F)F
Show InChI InChI=1S/C18H18F2N6OS/c1-11-8-13(24-15-9-12(16(19)20)2-4-21-15)10-25(11)17(27)14-3-7-28-18(14)26-22-5-6-23-26/h2-7,9,11,13,16H,8,10H2,1H3,(H,21,24)/t11-,13-/m1/s1
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n/an/a 67.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307580
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,4R)-2- methy...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1cc(C)ccn1
Show InChI InChI=1S/C20H22N6O/c1-14-7-8-21-19(11-14)24-16-12-15(2)25(13-16)20(27)17-5-3-4-6-18(17)26-22-9-10-23-26/h3-11,15-16H,12-13H2,1-2H3,(H,21,24)/t15-,16-/m1/s1
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n/an/a 75.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307590
PNG
((4-(2H-1,2,3-triazol-2- yl)thiophen-3-yl)((2R,4R)-...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1cscc1-n1nccn1)Nc1cc(ccn1)C(F)F
Show InChI InChI=1S/C18H18F2N6OS/c1-11-6-13(24-16-7-12(17(19)20)2-3-21-16)8-25(11)18(27)14-9-28-10-15(14)26-22-4-5-23-26/h2-5,7,9-11,13,17H,6,8H2,1H3,(H,21,24)/t11-,13-/m1/s1
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n/an/a 102n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307581
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,4R)-4- ((4-f...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1cc(F)ccn1
Show InChI InChI=1S/C19H19FN6O/c1-13-10-15(24-18-11-14(20)6-7-21-18)12-25(13)19(27)16-4-2-3-5-17(16)26-22-8-9-23-26/h2-9,11,13,15H,10,12H2,1H3,(H,21,24)/t13-,15-/m1/s1
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n/an/a 119n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307586
PNG
(US10150751, Example 23)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)N(C)c1cc(ccn1)C#N
Show InChI InChI=1S/C21H21N7O/c1-15-11-17(26(2)20-12-16(13-22)7-8-23-20)14-27(15)21(29)18-5-3-4-6-19(18)28-24-9-10-25-28/h3-10,12,15,17H,11,14H2,1-2H3/t15-,17-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307597
PNG
(US10150751, Example 35)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)N(C)c1cc(Br)ccn1
Show InChI InChI=1S/C20H21BrN6O/c1-14-11-16(25(2)19-12-15(21)7-8-22-19)13-26(14)20(28)17-5-3-4-6-18(17)27-23-9-10-24-27/h3-10,12,14,16H,11,13H2,1-2H3/t14-,16-/m1/s1
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n/an/a 136n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307582
PNG
(2-(((3R,5R)-1-(2-(2H-1,2,3-triazol-2- yl)benzoyl)-...)
Show SMILES COc1ccnc(N[C@@H]2C[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1C#C
Show InChI InChI=1S/C22H22N6O2/c1-4-17-20(30-3)9-10-23-21(17)26-16-13-15(2)27(14-16)22(29)18-7-5-6-8-19(18)28-24-11-12-25-28/h1,5-12,15-16H,13-14H2,2-3H3,(H,23,26)/t15-,16-/m1/s1
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n/an/a 167n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307576
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,4R)-4- ((5-f...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1ccc(F)cn1
Show InChI InChI=1S/C19H19FN6O/c1-13-10-15(24-18-7-6-14(20)11-21-18)12-25(13)19(27)16-4-2-3-5-17(16)26-22-8-9-23-26/h2-9,11,13,15H,10,12H2,1H3,(H,21,24)/t13-,15-/m1/s1
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n/an/a 175n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307607
PNG
(((2R,4R)-4-((4-Methoxypyridin-2- yl)amino)-2-methy...)
Show SMILES CCCc1ccccc1C(=O)N1C[C@@H](C[C@H]1C)Nc1ncccc1OC
Show InChI InChI=1S/C21H27N3O2/c1-4-8-16-9-5-6-10-18(16)21(25)24-14-17(13-15(24)2)23-20-19(26-3)11-7-12-22-20/h5-7,9-12,15,17H,4,8,13-14H2,1-3H3,(H,22,23)/t15-,17-/m1/s1
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n/an/a 179n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307577
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,4R)-4- (isoq...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1nccc2ccccc12
Show InChI InChI=1S/C23H22N6O/c1-16-14-18(27-22-19-7-3-2-6-17(19)10-11-24-22)15-28(16)23(30)20-8-4-5-9-21(20)29-25-12-13-26-29/h2-13,16,18H,14-15H2,1H3,(H,24,27)/t16-,18-/m1/s1
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n/an/a 257n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307606
PNG
(((2R,4R)-4-((4-Methoxypyridin-2- yl)amino)-2-methy...)
Show SMILES COc1cccnc1N[C@@H]1C[C@@H](C)N(C1)C(=O)c1ccccc1-c1nc(C)no1
Show InChI InChI=1S/C21H23N5O3/c1-13-11-15(24-19-18(28-3)9-6-10-22-19)12-26(13)21(27)17-8-5-4-7-16(17)20-23-14(2)25-29-20/h4-10,13,15H,11-12H2,1-3H3,(H,22,24)/t13-,15-/m1/s1
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n/an/a 278n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307591
PNG
(US10150751, Example 29)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1ncnn1)Nc1cc(ccn1)C#N
Show InChI InChI=1S/C19H18N8O/c1-13-8-15(24-18-9-14(10-20)6-7-21-18)11-26(13)19(28)16-4-2-3-5-17(16)27-23-12-22-25-27/h2-7,9,12-13,15H,8,11H2,1H3,(H,21,24)/t13-,15-/m1/s1
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n/an/a 302n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307570
PNG
((2-(2H-tetrazol-2-yl)phenyl)((2R,4R)-4- ((4-(2,2-d...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1cnnn1)Nc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C20H21F2N7O2/c1-13-8-14(25-19-9-15(6-7-23-19)31-11-18(21)22)10-28(13)20(30)16-4-2-3-5-17(16)29-12-24-26-27-29/h2-7,9,12-14,18H,8,10-11H2,1H3,(H,23,25)/t13-,14-/m1/s1
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n/an/a 367n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307603
PNG
(((2R,4R)-4-((3-Methoxypyridin-2- yl)amino)-2-methy...)
Show SMILES COc1cccnc1N[C@@H]1C[C@@H](C)N(C1)C(=O)c1ccccc1-c1noc(C)n1
Show InChI InChI=1S/C21H23N5O3/c1-13-11-15(24-20-18(28-3)9-6-10-22-20)12-26(13)21(27)17-8-5-4-7-16(17)19-23-14(2)29-25-19/h4-10,13,15H,11-12H2,1-3H3,(H,22,24)/t13-,15-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307571
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,5R)- 5-(4-(6...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccsc1-c1ncccn1)Nc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C21H21F2N5O2S/c1-13-9-14(27-18-10-15(3-7-24-18)30-12-17(22)23)11-28(13)21(29)16-4-8-31-19(16)20-25-5-2-6-26-20/h2-8,10,13-14,17H,9,11-12H2,1H3,(H,24,27)/t13-,14-/m1/s1
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n/an/a 520n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307572
PNG
(((2R,4R)-4-((4-(2,2- difluoroethoxy)pyridin-2-yl)a...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccsc1-n1nccn1)Nc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C19H20F2N6O2S/c1-12-8-13(25-17-9-14(2-4-22-17)29-11-16(20)21)10-26(12)18(28)15-3-7-30-19(15)27-23-5-6-24-27/h2-7,9,12-13,16H,8,10-11H2,1H3,(H,22,25)/t12-,13-/m1/s1
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n/an/a 625n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307602
PNG
(((2R,4R)-4-((3-Methoxypyridin-2- yl)amino)-2-methy...)
Show SMILES COc1cccnc1N[C@@H]1C[C@@H](C)N(C1)C(=O)c1cccnc1-n1cc(C)cn1
Show InChI InChI=1S/C21H24N6O2/c1-14-11-24-27(12-14)20-17(6-4-9-23-20)21(28)26-13-16(10-15(26)2)25-19-18(29-3)7-5-8-22-19/h4-9,11-12,15-16H,10,13H2,1-3H3,(H,22,25)/t15-,16-/m1/s1
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n/an/a 758n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307573
PNG
(((2R,4R)-4-((4-(2,2- difluoroethoxy)pyridin-2-yl)a...)
Show SMILES CCOc1ncccc1C(=O)N1C[C@@H](C[C@H]1C)Nc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C20H24F2N4O3/c1-3-28-19-16(5-4-7-24-19)20(27)26-11-14(9-13(26)2)25-18-10-15(6-8-23-18)29-12-17(21)22/h4-8,10,13-14,17H,3,9,11-12H2,1-2H3,(H,23,25)/t13-,14-/m1/s1
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n/an/a 989n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307578
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,4R)-2- methy...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C20H19F3N6O/c1-13-10-15(27-18-11-14(6-7-24-18)20(21,22)23)12-28(13)19(30)16-4-2-3-5-17(16)29-25-8-9-26-29/h2-9,11,13,15H,10,12H2,1H3,(H,24,27)/t13-,15-/m1/s1
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n/an/a 1.09E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307593
PNG
(US10150751, Example 31)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1cc(Br)ccn1
Show InChI InChI=1S/C19H19BrN6O/c1-13-10-15(24-18-11-14(20)6-7-21-18)12-25(13)19(27)16-4-2-3-5-17(16)26-22-8-9-23-26/h2-9,11,13,15H,10,12H2,1H3,(H,21,24)/t13-,15-/m1/s1
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n/an/a 1.15E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307579
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,4R)-4- ((4-c...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1cc(Cl)ccn1
Show InChI InChI=1S/C19H19ClN6O/c1-13-10-15(24-18-11-14(20)6-7-21-18)12-25(13)19(27)16-4-2-3-5-17(16)26-22-8-9-23-26/h2-9,11,13,15H,10,12H2,1H3,(H,21,24)/t13-,15-/m1/s1
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n/an/a 1.16E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307604
PNG
((3-(1H-Pyrazol-1-yl)pyrazin-2- yl)((2R,4R)-4-((3-m...)
Show SMILES COc1cccnc1N[C@@H]1C[C@@H](C)N(C1)C(=O)c1nccnc1-n1cccn1
Show InChI InChI=1S/C19H21N7O2/c1-13-11-14(24-17-15(28-2)5-3-6-21-17)12-25(13)19(27)16-18(22-9-8-20-16)26-10-4-7-23-26/h3-10,13-14H,11-12H2,1-2H3,(H,21,24)/t13-,14-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307600
PNG
(US10150751, Example 38)
Show SMILES COC(=O)c1c(N[C@@H]2C[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C22H21N7O3/c1-14-11-16(27-20-19(22(31)32-2)15(12-23)7-8-24-20)13-28(14)21(30)17-5-3-4-6-18(17)29-25-9-10-26-29/h3-10,14,16H,11,13H2,1-2H3,(H,24,27)/t14-,16-/m1/s1
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n/an/a 1.55E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307575
PNG
(US10150751, Example 9)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1cc(ccn1)C(F)F
Show InChI InChI=1S/C20H20F2N6O/c1-13-10-15(26-18-11-14(19(21)22)6-7-23-18)12-27(13)20(29)16-4-2-3-5-17(16)28-24-8-9-25-28/h2-9,11,13,15,19H,10,12H2,1H3,(H,23,26)/t13-,15-/m1/s1
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n/an/a 1.63E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307574
PNG
(((2R,4R)-4-((4-(2,2- difluoroethoxy)pyridin-2-yl)a...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1cccc2CCCc12)Nc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C22H25F2N3O2/c1-14-10-16(26-21-11-17(8-9-25-21)29-13-20(23)24)12-27(14)22(28)19-7-3-5-15-4-2-6-18(15)19/h3,5,7-9,11,14,16,20H,2,4,6,10,12-13H2,1H3,(H,25,26)/t14-,16-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307597
PNG
(US10150751, Example 35)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)N(C)c1cc(Br)ccn1
Show InChI InChI=1S/C20H21BrN6O/c1-14-11-16(25(2)19-12-15(21)7-8-22-19)13-26(14)20(28)17-5-3-4-6-18(17)27-23-9-10-24-27/h3-10,12,14,16H,11,13H2,1-2H3/t14-,16-/m1/s1
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n/an/a 2.25E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307605
PNG
(((2R,4R)-4-((3-Methoxypyridin-2- yl)amino)-2-methy...)
Show SMILES COc1cccnc1N[C@@H]1C[C@@H](C)N(C1)C(=O)c1nccnc1-c1ccccn1
Show InChI InChI=1S/C21H22N6O2/c1-14-12-15(26-20-17(29-2)7-5-9-25-20)13-27(14)21(28)19-18(23-10-11-24-19)16-6-3-4-8-22-16/h3-11,14-15H,12-13H2,1-2H3,(H,25,26)/t14-,15-/m1/s1
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n/an/a 2.37E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307587
PNG
(US10150751, Example 24)
Show SMILES COc1ccnc(N[C@@H]2C[C@@H](C)N(C2)C(=O)c2ccccc2C2(CC2)C#N)c1
Show InChI InChI=1S/C22H24N4O2/c1-15-11-16(25-20-12-17(28-2)7-10-24-20)13-26(15)21(27)18-5-3-4-6-19(18)22(14-23)8-9-22/h3-7,10,12,15-16H,8-9,11,13H2,1-2H3,(H,24,25)/t15-,16-/m1/s1
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n/an/a 2.72E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307584
PNG
(US10150751, Example 20)
Show SMILES CC(C)Oc1ccnc(N[C@@H]2C[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1
Show InChI InChI=1S/C22H26N6O2/c1-15(2)30-18-8-9-23-21(13-18)26-17-12-16(3)27(14-17)22(29)19-6-4-5-7-20(19)28-24-10-11-25-28/h4-11,13,15-17H,12,14H2,1-3H3,(H,23,26)/t16-,17-/m1/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307599
PNG
(US10150751, Example 37)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)N(C)c1nccc(C#N)c1C
Show InChI InChI=1S/C22H23N7O/c1-15-12-18(27(3)21-16(2)17(13-23)8-9-24-21)14-28(15)22(30)19-6-4-5-7-20(19)29-25-10-11-26-29/h4-11,15,18H,12,14H2,1-3H3/t15-,18-/m1/s1
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n/an/a 3.21E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307598
PNG
(US10150751, Example 36)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1nccc(C#N)c1C
Show InChI InChI=1S/C21H21N7O/c1-14-11-17(26-20-15(2)16(12-22)7-8-23-20)13-27(14)21(29)18-5-3-4-6-19(18)28-24-9-10-25-28/h3-10,14,17H,11,13H2,1-2H3,(H,23,26)/t14-,17-/m1/s1
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n/an/a 3.35E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307588
PNG
(US10150751, Example 25)
Show SMILES COc1cccnc1N[C@@H]1C[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H22N6O2/c1-14-12-15(24-19-18(28-2)8-5-9-21-19)13-25(14)20(27)16-6-3-4-7-17(16)26-22-10-11-23-26/h3-11,14-15H,12-13H2,1-2H3,(H,21,24)/t14-,15-/m1/s1
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n/an/a 3.39E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307608
PNG
(((2S,4S)-4-((4-methoxypyridin-2- yl)amino)-2-methy...)
Show SMILES COc1cccnc1N[C@@H]1C[C@@H](C)N(C1)C(=O)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C19H20F3N3O3/c1-12-10-13(24-17-16(27-2)8-5-9-23-17)11-25(12)18(26)14-6-3-4-7-15(14)28-19(20,21)22/h3-9,12-13H,10-11H2,1-2H3,(H,23,24)/t12-,13-/m1/s1
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n/an/a 3.95E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307585
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,4R)- 4-((4-e...)
Show SMILES CCOc1ccnc(N[C@@H]2C[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1
Show InChI InChI=1S/C21H24N6O2/c1-3-29-17-8-9-22-20(13-17)25-16-12-15(2)26(14-16)21(28)18-6-4-5-7-19(18)27-23-10-11-24-27/h4-11,13,15-16H,3,12,14H2,1-2H3,(H,22,25)/t15-,16-/m1/s1
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n/an/a 3.99E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307568
PNG
(US10150751, Example 1)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1C1(CCC1)C#N)Nc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C24H26F2N4O2/c1-16-11-17(29-22-12-18(7-10-28-22)32-14-21(25)26)13-30(16)23(31)19-5-2-3-6-20(19)24(15-27)8-4-9-24/h2-3,5-7,10,12,16-17,21H,4,8-9,11,13-14H2,1H3,(H,28,29)/t16-,17-/m1/s1
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n/an/a 4.04E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307580
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,4R)-2- methy...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1cc(C)ccn1
Show InChI InChI=1S/C20H22N6O/c1-14-7-8-21-19(11-14)24-16-12-15(2)25(13-16)20(27)17-5-3-4-6-18(17)26-22-9-10-23-26/h3-11,15-16H,12-13H2,1-2H3,(H,21,24)/t15-,16-/m1/s1
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n/an/a 4.07E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307595
PNG
(US10150751, Example 33)
Show SMILES CCOC(=O)c1c(OC)ccnc1N[C@@H]1C[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H26N6O4/c1-4-33-23(31)20-19(32-3)9-10-24-21(20)27-16-13-15(2)28(14-16)22(30)17-7-5-6-8-18(17)29-25-11-12-26-29/h5-12,15-16H,4,13-14H2,1-3H3,(H,24,27)/t15-,16-/m1/s1
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n/an/a 4.07E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307576
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,4R)-4- ((5-f...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1ccc(F)cn1
Show InChI InChI=1S/C19H19FN6O/c1-13-10-15(24-18-7-6-14(20)11-21-18)12-25(13)19(27)16-4-2-3-5-17(16)26-22-8-9-23-26/h2-9,11,13,15H,10,12H2,1H3,(H,21,24)/t13-,15-/m1/s1
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n/an/a 6.29E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307594
PNG
(US10150751, Example 32)
Show SMILES COC(=O)c1c(OC)ccnc1N[C@@H]1C[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H24N6O4/c1-14-12-15(26-20-19(22(30)32-3)18(31-2)8-9-23-20)13-27(14)21(29)16-6-4-5-7-17(16)28-24-10-11-25-28/h4-11,14-15H,12-13H2,1-3H3,(H,23,26)/t14-,15-/m1/s1
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n/an/a 6.75E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307607
PNG
(((2R,4R)-4-((4-Methoxypyridin-2- yl)amino)-2-methy...)
Show SMILES CCCc1ccccc1C(=O)N1C[C@@H](C[C@H]1C)Nc1ncccc1OC
Show InChI InChI=1S/C21H27N3O2/c1-4-8-16-9-5-6-10-18(16)21(25)24-14-17(13-15(24)2)23-20-19(26-3)11-7-12-22-20/h5-7,9-12,15,17H,4,8,13-14H2,1-3H3,(H,22,23)/t15-,17-/m1/s1
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n/an/a 9.83E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307603
PNG
(((2R,4R)-4-((3-Methoxypyridin-2- yl)amino)-2-methy...)
Show SMILES COc1cccnc1N[C@@H]1C[C@@H](C)N(C1)C(=O)c1ccccc1-c1noc(C)n1
Show InChI InChI=1S/C21H23N5O3/c1-13-11-15(24-20-18(28-3)9-6-10-22-20)12-26(13)21(27)17-8-5-4-7-16(17)19-23-14(2)29-25-19/h4-10,13,15H,11-12H2,1-3H3,(H,22,24)/t13-,15-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307574
PNG
(((2R,4R)-4-((4-(2,2- difluoroethoxy)pyridin-2-yl)a...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1cccc2CCCc12)Nc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C22H25F2N3O2/c1-14-10-16(26-21-11-17(8-9-25-21)29-13-20(23)24)12-27(14)22(28)19-7-3-5-15-4-2-6-18(15)19/h3,5,7-9,11,14,16,20H,2,4,6,10,12-13H2,1H3,(H,25,26)/t14-,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307582
PNG
(2-(((3R,5R)-1-(2-(2H-1,2,3-triazol-2- yl)benzoyl)-...)
Show SMILES COc1ccnc(N[C@@H]2C[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1C#C
Show InChI InChI=1S/C22H22N6O2/c1-4-17-20(30-3)9-10-23-21(17)26-16-13-15(2)27(14-16)22(29)18-7-5-6-8-19(18)28-24-11-12-25-28/h1,5-12,15-16H,13-14H2,2-3H3,(H,23,26)/t15-,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307586
PNG
(US10150751, Example 23)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)N(C)c1cc(ccn1)C#N
Show InChI InChI=1S/C21H21N7O/c1-15-11-17(26(2)20-12-16(13-22)7-8-23-20)14-27(15)21(29)18-5-3-4-6-19(18)28-24-9-10-25-28/h3-10,12,15,17H,11,14H2,1-2H3/t15-,17-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307571
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,5R)- 5-(4-(6...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccsc1-c1ncccn1)Nc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C21H21F2N5O2S/c1-13-9-14(27-18-10-15(3-7-24-18)30-12-17(22)23)11-28(13)21(29)16-4-8-31-19(16)20-25-5-2-6-26-20/h2-8,10,13-14,17H,9,11-12H2,1H3,(H,24,27)/t13-,14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307572
PNG
(((2R,4R)-4-((4-(2,2- difluoroethoxy)pyridin-2-yl)a...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccsc1-n1nccn1)Nc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C19H20F2N6O2S/c1-12-8-13(25-17-9-14(2-4-22-17)29-11-16(20)21)10-26(12)18(28)15-3-7-30-19(15)27-23-5-6-24-27/h2-7,9,12-13,16H,8,10-11H2,1H3,(H,22,25)/t12-,13-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307605
PNG
(((2R,4R)-4-((3-Methoxypyridin-2- yl)amino)-2-methy...)
Show SMILES COc1cccnc1N[C@@H]1C[C@@H](C)N(C1)C(=O)c1nccnc1-c1ccccn1
Show InChI InChI=1S/C21H22N6O2/c1-14-12-15(26-20-17(29-2)7-5-9-25-20)13-27(14)21(28)19-18(23-10-11-24-19)16-6-3-4-8-22-16/h3-11,14-15H,12-13H2,1-2H3,(H,25,26)/t14-,15-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307601
PNG
(US10150751, Example 39)
Show SMILES COc1c(N[C@@H]2C[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C21H21N7O2/c1-14-11-16(26-20-19(30-2)15(12-22)7-8-23-20)13-27(14)21(29)17-5-3-4-6-18(17)28-24-9-10-25-28/h3-10,14,16H,11,13H2,1-2H3,(H,23,26)/t14-,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307604
PNG
((3-(1H-Pyrazol-1-yl)pyrazin-2- yl)((2R,4R)-4-((3-m...)
Show SMILES COc1cccnc1N[C@@H]1C[C@@H](C)N(C1)C(=O)c1nccnc1-n1cccn1
Show InChI InChI=1S/C19H21N7O2/c1-13-11-14(24-17-15(28-2)5-3-6-21-17)12-25(13)19(27)16-18(22-9-8-20-16)26-10-4-7-23-26/h3-10,13-14H,11-12H2,1-2H3,(H,21,24)/t13-,14-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307606
PNG
(((2R,4R)-4-((4-Methoxypyridin-2- yl)amino)-2-methy...)
Show SMILES COc1cccnc1N[C@@H]1C[C@@H](C)N(C1)C(=O)c1ccccc1-c1nc(C)no1
Show InChI InChI=1S/C21H23N5O3/c1-13-11-15(24-19-18(28-3)9-6-10-22-19)12-26(13)21(27)17-8-5-4-7-16(17)20-23-14(2)25-29-20/h4-10,13,15H,11-12H2,1-3H3,(H,22,24)/t13-,15-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307602
PNG
(((2R,4R)-4-((3-Methoxypyridin-2- yl)amino)-2-methy...)
Show SMILES COc1cccnc1N[C@@H]1C[C@@H](C)N(C1)C(=O)c1cccnc1-n1cc(C)cn1
Show InChI InChI=1S/C21H24N6O2/c1-14-11-24-27(12-14)20-17(6-4-9-23-20)21(28)26-13-16(10-15(26)2)25-19-18(29-3)7-5-8-22-19/h4-9,11-12,15-16H,10,13H2,1-3H3,(H,22,25)/t15-,16-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307583
PNG
(2-(((3R,5R)-1-(2-(2H-1,2,3-triazol-2- yl)benzoyl)-...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1cc(ccn1)C#N
Show InChI InChI=1S/C20H19N7O/c1-14-10-16(25-19-11-15(12-21)6-7-22-19)13-26(14)20(28)17-4-2-3-5-18(17)27-23-8-9-24-27/h2-9,11,14,16H,10,13H2,1H3,(H,22,25)/t14-,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307596
PNG
(Methyl 2-(((3R,5R)-1-(2-(2H- 1,2,3-triazol-2-yl)be...)
Show SMILES CCOc1ccnc(N[C@@H]2C[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1C(=O)OC
Show InChI InChI=1S/C23H26N6O4/c1-4-33-19-9-10-24-21(20(19)23(31)32-3)27-16-13-15(2)28(14-16)22(30)17-7-5-6-8-18(17)29-25-11-12-26-29/h5-12,15-16H,4,13-14H2,1-3H3,(H,24,27)/t15-,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307592
PNG
(2-(((3R,5R)-5-Methyl-1-(2- (pyrimidin-2-yl)benzoyl...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-c1ncccn1)Nc1cc(ccn1)C#N
Show InChI InChI=1S/C22H20N6O/c1-15-11-17(27-20-12-16(13-23)7-10-24-20)14-28(15)22(29)19-6-3-2-5-18(19)21-25-8-4-9-26-21/h2-10,12,15,17H,11,14H2,1H3,(H,24,27)/t15-,17-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307599
PNG
(US10150751, Example 37)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)N(C)c1nccc(C#N)c1C
Show InChI InChI=1S/C22H23N7O/c1-15-12-18(27(3)21-16(2)17(13-23)8-9-24-21)14-28(15)22(30)19-6-4-5-7-20(19)29-25-10-11-26-29/h4-11,15,18H,12,14H2,1-3H3/t15-,18-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307573
PNG
(((2R,4R)-4-((4-(2,2- difluoroethoxy)pyridin-2-yl)a...)
Show SMILES CCOc1ncccc1C(=O)N1C[C@@H](C[C@H]1C)Nc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C20H24F2N4O3/c1-3-28-19-16(5-4-7-24-19)20(27)26-11-14(9-13(26)2)25-18-10-15(6-8-23-18)29-12-17(21)22/h4-8,10,13-14,17H,3,9,11-12H2,1-2H3,(H,23,25)/t13-,14-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307569
PNG
(1-(2-((2R,4R)-4-((4-(2,2- difluoroethoxy)pyridin-2...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)Nc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C23H24F2N4O2/c1-15-10-16(28-21-11-17(6-9-27-21)31-13-20(24)25)12-29(15)22(30)18-4-2-3-5-19(18)23(14-26)7-8-23/h2-6,9,11,15-16,20H,7-8,10,12-13H2,1H3,(H,27,28)/t15-,16-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307581
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,4R)-4- ((4-f...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1cc(F)ccn1
Show InChI InChI=1S/C19H19FN6O/c1-13-10-15(24-18-11-14(20)6-7-21-18)12-25(13)19(27)16-4-2-3-5-17(16)26-22-8-9-23-26/h2-9,11,13,15H,10,12H2,1H3,(H,21,24)/t13-,15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307570
PNG
((2-(2H-tetrazol-2-yl)phenyl)((2R,4R)-4- ((4-(2,2-d...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1cnnn1)Nc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C20H21F2N7O2/c1-13-8-14(25-19-9-15(6-7-23-19)31-11-18(21)22)10-28(13)20(30)16-4-2-3-5-17(16)29-12-24-26-27-29/h2-7,9,12-14,18H,8,10-11H2,1H3,(H,23,25)/t13-,14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307590
PNG
((4-(2H-1,2,3-triazol-2- yl)thiophen-3-yl)((2R,4R)-...)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1cscc1-n1nccn1)Nc1cc(ccn1)C(F)F
Show InChI InChI=1S/C18H18F2N6OS/c1-11-6-13(24-16-7-12(17(19)20)2-3-21-16)8-25(11)18(27)14-9-28-10-15(14)26-22-4-5-23-26/h2-5,7,9-11,13,17H,6,8H2,1H3,(H,21,24)/t11-,13-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307591
PNG
(US10150751, Example 29)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccccc1-n1ncnn1)Nc1cc(ccn1)C#N
Show InChI InChI=1S/C19H18N8O/c1-13-8-15(24-18-9-14(10-20)6-7-21-18)11-26(13)19(28)16-4-2-3-5-17(16)27-23-12-22-25-27/h2-7,9,12-13,15H,8,11H2,1H3,(H,21,24)/t13-,15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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


(Homo sapiens (Human))
BDBM307589
PNG
(US10150751, Example 27)
Show SMILES C[C@@H]1C[C@H](CN1C(=O)c1ccsc1-n1nccn1)Nc1cc(ccn1)C(F)F
Show InChI InChI=1S/C18H18F2N6OS/c1-11-8-13(24-15-9-12(16(19)20)2-4-21-15)10-25(11)17(27)14-3-7-28-18(14)26-22-5-6-23-26/h2-7,9,11,13,16H,8,10H2,1H3,(H,21,24)/t11-,13-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
All reagents were from GIBCO-Invitrogen Corp. The seeded plates are incubated overnight at 37 C. and 5% CO2. Ala-6,12 human orexin-A as the agonist...


US Patent US10150751 (2018)

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