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Patent code US10308645

Compile Data Set for Download or QSAR
Found 86 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))
BDBM395693
PNG
(1-[2-({(2R,5R)-5-[5-(1-hydroxy-1- methylethyl)-1,2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C22H26N4O2S/c1-14-8-9-15(18-24-20(29-25-18)21(2,3)28)12-26(14)19(27)16-6-4-5-7-17(16)22(13-23)10-11-22/h4-7,14-15,28H,8-12H2,1-3H3/t14-,15-/m1/s1
PDB

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n/an/a 18n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395667
PNG
((2S)-1,1,1-trifluoro-2-{3-[(3R,6R)- 6-methyl-1-{[2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1noc(n1)[C@](C)(O)C(F)(F)F
Show InChI InChI=1S/C20H21F3N6O3/c1-12-7-8-13(16-26-18(32-27-16)19(2,31)20(21,22)23)11-28(12)17(30)14-5-3-4-6-15(14)29-24-9-10-25-29/h3-6,9-10,12-13,31H,7-8,11H2,1-2H3/t12-,13-,19+/m1/s1
PDB

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n/an/a 18n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395666
PNG
(2-{3-[(3R,6R)-6-Methyl-1-{[2-(2H-1,2,3-triazol-2-y...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C20H24N6O3/c1-13-8-9-14(17-23-19(29-24-17)20(2,3)28)12-25(13)18(27)15-6-4-5-7-16(15)26-21-10-11-22-26/h4-7,10-11,13-14,28H,8-9,12H2,1-3H3/t13-,14-/m1/s1
PDB

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n/an/a 19n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395672
PNG
(1-[2-({(2R,5R)-5-[5-(1-hydroxy-1-methylethyl)-1,2,...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C22H26N4O3/c1-14-8-9-15(18-24-20(29-25-18)21(2,3)28)12-26(14)19(27)16-6-4-5-7-17(16)22(13-23)10-11-22/h4-7,14-15,28H,8-12H2,1-3H3/t14-,15-/m1/s1
PDB

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n/an/a 22n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395668
PNG
((1S)-2,2,2-trifluoro-1-{3-[(3R,6R)- 6-methyl-1-{[2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1noc(n1)[C@H](O)C(F)(F)F
Show InChI InChI=1S/C19H19F3N6O3/c1-11-6-7-12(16-25-17(31-26-16)15(29)19(20,21)22)10-27(11)18(30)13-4-2-3-5-14(13)28-23-8-9-24-28/h2-5,8-9,11-12,15,29H,6-7,10H2,1H3/t11-,12-,15+/m1/s1
PDB

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n/an/a 22n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395696
PNG
(2-{3-[(3R,6R)-6-methyl-1-{[2-(2H- 1,2,3-triazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C20H24N6O2S/c1-13-8-9-14(17-23-19(29-24-17)20(2,3)28)12-25(13)18(27)15-6-4-5-7-16(15)26-21-10-11-22-26/h4-7,10-11,13-14,28H,8-9,12H2,1-3H3/t13-,14-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395665
PNG
((2R,5R)-2-methyl-5-[5-(1- methylethyl)-1,2,4-oxadi...)
Show SMILES CC(C)c1nc(no1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H24N6O2/c1-13(2)19-23-18(24-28-19)15-9-8-14(3)25(12-15)20(27)16-6-4-5-7-17(16)26-21-10-11-22-26/h4-7,10-11,13-15H,8-9,12H2,1-3H3/t14-,15-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395663
PNG
((2R,5R)-5-(5-tert-butyl-1,2,4- oxadiazol-3-yl)-2-m...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1noc(n1)C(C)(C)C
Show InChI InChI=1S/C21H26N6O2/c1-14-9-10-15(18-24-20(29-25-18)21(2,3)4)13-26(14)19(28)16-7-5-6-8-17(16)27-22-11-12-23-27/h5-8,11-12,14-15H,9-10,13H2,1-4H3/t14-,15-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395704
PNG
((2R,5R)-5-[5-(1-methoxy-1-methylethyl)-1,2,4-thiad...)
Show SMILES COC(C)(C)c1nc(ns1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H26N6O2S/c1-14-9-10-15(18-24-20(30-25-18)21(2,3)29-4)13-26(14)19(28)16-7-5-6-8-17(16)27-22-11-12-23-27/h5-8,11-12,14-15H,9-10,13H2,1-4H3/t14-,15-/m1/s1
PDB

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n/an/a 39n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395674
PNG
(2-{3-[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3- triazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-n1nccn1)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C18H22N6O3S/c1-11-4-5-12(14-21-17(27-22-14)18(2,3)26)10-23(11)15(25)13-6-9-28-16(13)24-19-7-8-20-24/h6-9,11-12,26H,4-5,10H2,1-3H3/t11-,12-/m1/s1
PDB

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n/an/a 39n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395682
PNG
(2-{3-[(3R,6R)-1-{[4-Fluoro-2-(2H-1,2,3-triazol-2-y...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-n1nccn1)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C20H23FN6O3/c1-12-4-5-13(17-24-19(30-25-17)20(2,3)29)11-26(12)18(28)15-7-6-14(21)10-16(15)27-22-8-9-23-27/h6-10,12-13,29H,4-5,11H2,1-3H3/t12-,13-/m1/s1
PDB

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n/an/a 44n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395702
PNG
(2-(3-{(3R,6R)-6-Methyl-1-[(2-pyrimidin-2-ylphenyl)...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ncccn1)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C22H25N5O2S/c1-14-9-10-15(18-25-21(30-26-18)22(2,3)29)13-27(14)20(28)17-8-5-4-7-16(17)19-23-11-6-12-24-19/h4-8,11-12,14-15,29H,9-10,13H2,1-3H3/t14-,15-/m1/s1
PDB

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n/an/a 48n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395675
PNG
(2-{3-[(3R,6R)-6-methyl-1-{[4-(2H-1,2,3- triazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cscc1-n1nccn1)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C18H22N6O3S/c1-11-4-5-12(15-21-17(27-22-15)18(2,3)26)8-23(11)16(25)13-9-28-10-14(13)24-19-6-7-20-24/h6-7,9-12,26H,4-5,8H2,1-3H3/t11-,12-/m1/s1
PDB

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n/an/a 48n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395701
PNG
(2-(3-{(3R,6R)-6-Methyl-1-[(2-pyrimidin-2-ylthiophe...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C20H23N5O2S2/c1-12-5-6-13(16-23-19(29-24-16)20(2,3)27)11-25(12)18(26)14-7-10-28-15(14)17-21-8-4-9-22-17/h4,7-10,12-13,27H,5-6,11H2,1-3H3/t12-,13-/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395700
PNG
(2-{3-[(3R,6R)-6-methyl-1-{[2- (trifluoromethoxy)ph...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OC(F)(F)F)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C19H22F3N3O3S/c1-11-8-9-12(15-23-17(29-24-15)18(2,3)27)10-25(11)16(26)13-6-4-5-7-14(13)28-19(20,21)22/h4-7,11-12,27H,8-10H2,1-3H3/t11-,12-/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395683
PNG
(2-(3-{(3R,6R)-6-methyl-1-[(2- pyrimidin-2-ylthioph...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C20H23N5O3S/c1-12-5-6-13(16-23-19(28-24-16)20(2,3)27)11-25(12)18(26)14-7-10-29-15(14)17-21-8-4-9-22-17/h4,7-10,12-13,27H,5-6,11H2,1-3H3/t12-,13-/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395684
PNG
(2-(3-{(3R,6R)-6-Methyl-1-[(2-pyrimidin-2-ylphenyl)...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ncccn1)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C22H25N5O3/c1-14-9-10-15(18-25-21(30-26-18)22(2,3)29)13-27(14)20(28)17-8-5-4-7-16(17)19-23-11-6-12-24-19/h4-8,11-12,14-15,29H,9-10,13H2,1-3H3/t14-,15-/m1/s1
PDB

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n/an/a 63n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395688
PNG
(2-{5-[(3R,6R)-6-methyl-1-{[2-(2H- 1,2,3-triazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(no1)C(C)(C)O
Show InChI InChI=1S/C20H24N6O3/c1-13-8-9-14(17-23-19(24-29-17)20(2,3)28)12-25(13)18(27)15-6-4-5-7-16(15)26-21-10-11-22-26/h4-7,10-11,13-14,28H,8-9,12H2,1-3H3/t13-,14-/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395685
PNG
(2-(3-{(3R,6R)-6-methyl-1-[(4- pyrimidin-2-ylthioph...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cscc1-c1ncccn1)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C20H23N5O3S/c1-12-5-6-13(16-23-19(28-24-16)20(2,3)27)9-25(12)18(26)15-11-29-10-14(15)17-21-7-4-8-22-17/h4,7-8,10-13,27H,5-6,9H2,1-3H3/t12-,13-/m1/s1
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395670
PNG
((1R)-2,2,2-Trifluoro-1-{3-[(3R,6R)-6-methyl-1-{[2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1noc(n1)[C@@H](O)C(F)(F)F
Show InChI InChI=1S/C19H19F3N6O3/c1-11-6-7-12(16-25-17(31-26-16)15(29)19(20,21)22)10-27(11)18(30)13-4-2-3-5-14(13)28-23-8-9-24-28/h2-5,8-9,11-12,15,29H,6-7,10H2,1H3/t11-,12-,15-/m1/s1
PDB

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n/an/a 77n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395703
PNG
(2-(3-{(3R,6R)-6-methyl-1-[(4-pyrimidin- 2-ylthioph...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cscc1-c1ncccn1)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C20H23N5O2S2/c1-12-5-6-13(16-23-19(29-24-16)20(2,3)27)9-25(12)18(26)15-11-28-10-14(15)17-21-7-4-8-22-17/h4,7-8,10-13,27H,5-6,9H2,1-3H3/t12-,13-/m1/s1
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n/an/a 83n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395676
PNG
(2-{3-[(3R,6R)-6-methyl-1-{[2- (trifluoromethoxy)ph...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OC(F)(F)F)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C19H22F3N3O4/c1-11-8-9-12(15-23-17(29-24-15)18(2,3)27)10-25(11)16(26)13-6-4-5-7-14(13)28-19(20,21)22/h4-7,11-12,27H,8-10H2,1-3H3/t11-,12-/m1/s1
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n/an/a 86n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395686
PNG
((2R,5R)-5-(3-tert-Butyl-1,2,4-oxadiazol-5-yl)-2-me...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(no1)C(C)(C)C
Show InChI InChI=1S/C21H26N6O2/c1-14-9-10-15(18-24-20(25-29-18)21(2,3)4)13-26(14)19(28)16-7-5-6-8-17(16)27-22-11-12-23-27/h5-8,11-12,14-15H,9-10,13H2,1-4H3/t14-,15-/m1/s1
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n/an/a 87n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395677
PNG
(2-{3-[(3R,6R)-6-methyl-1-{[2-(2,2,2- trifluoroetho...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1OCC(F)(F)F)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C19H23F3N4O4/c1-11-6-7-12(14-24-17(30-25-14)18(2,3)28)9-26(11)16(27)13-5-4-8-23-15(13)29-10-19(20,21)22/h4-5,8,11-12,28H,6-7,9-10H2,1-3H3/t11-,12-/m1/s1
PDB

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n/an/a 87n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395690
PNG
(2-{3-[(3R,6R)-6-Methyl-1-{[2-(2H-1,2,3-triazol-2-y...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-n1nccn1)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C18H22N6O2S2/c1-11-4-5-12(14-21-17(28-22-14)18(2,3)26)10-23(11)15(25)13-6-9-27-16(13)24-19-7-8-20-24/h6-9,11-12,26H,4-5,10H2,1-3H3/t11-,12-/m1/s1
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n/an/a 88n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395681
PNG
(US10308645, Example 20 | methyl 2-({(2R,5R)-5-[5-(...)
Show SMILES COC(=O)c1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C20H25N3O5/c1-12-9-10-13(16-21-19(28-22-16)20(2,3)26)11-23(12)17(24)14-7-5-6-8-15(14)18(25)27-4/h5-8,12-13,26H,9-11H2,1-4H3/t12-,13-/m1/s1
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n/an/a 97n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395671
PNG
((2R)-1,1,1-Trifluoro-2-{3-[(3R,6R)-6-methyl-1-{[2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1noc(n1)[C@@](C)(O)C(F)(F)F
Show InChI InChI=1S/C20H21F3N6O3/c1-12-7-8-13(16-26-18(32-27-16)19(2,31)20(21,22)23)11-28(12)17(30)14-5-3-4-6-15(14)29-24-9-10-25-29/h3-6,9-10,12-13,31H,7-8,11H2,1-2H3/t12-,13-,19-/m1/s1
PDB

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n/an/a 97n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395669
PNG
((2R,5R)-5-[5-(1-Methoxy-1-methylethyl)-1,2,4-oxadi...)
Show SMILES COC(C)(C)c1nc(no1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H26N6O3/c1-14-9-10-15(18-24-20(30-25-18)21(2,3)29-4)13-26(14)19(28)16-7-5-6-8-17(16)27-22-11-12-23-27/h5-8,11-12,14-15H,9-10,13H2,1-4H3/t14-,15-/m1/s1
PDB

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n/an/a 98n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395692
PNG
(2-{3-[(3R,6R)-6-methyl-1-{[4-(2H- 1,2,3-triazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cscc1-n1nccn1)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C18H22N6O2S2/c1-11-4-5-12(15-21-17(28-22-15)18(2,3)26)8-23(11)16(25)13-9-27-10-14(13)24-19-6-7-20-24/h6-7,9-12,26H,4-5,8H2,1-3H3/t11-,12-/m1/s1
PDB

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n/an/a 110n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395699
PNG
(2-{3-[(3R,6R)-6-methyl-1-{[2- (2,2,2-trifluoroetho...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OCC(F)(F)F)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C20H24F3N3O3S/c1-12-8-9-13(16-24-18(30-25-16)19(2,3)28)10-26(12)17(27)14-6-4-5-7-15(14)29-11-20(21,22)23/h4-7,12-13,28H,8-11H2,1-3H3/t12-,13-/m1/s1
PDB

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n/an/a 124n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395680
PNG
(2-(3-{(3R,6R)-1-[(2-ethoxyphenyl)carbonyl]- 6-meth...)
Show SMILES CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C20H27N3O4/c1-5-26-16-9-7-6-8-15(16)18(24)23-12-14(11-10-13(23)2)17-21-19(27-22-17)20(3,4)25/h6-9,13-14,25H,5,10-12H2,1-4H3/t13-,14-/m1/s1
PDB

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n/an/a 124n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395687
PNG
((2R,5R)-2-methyl-5-[3-(1- methylethyl)-1,2,4-oxadi...)
Show SMILES CC(C)c1noc(n1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H24N6O2/c1-13(2)18-23-19(28-24-18)15-9-8-14(3)25(12-15)20(27)16-6-4-5-7-17(16)26-21-10-11-22-26/h4-7,10-11,13-15H,8-9,12H2,1-3H3/t14-,15-/m1/s1
PDB

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n/an/a 124n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395679
PNG
(2-{3-[(3R,6R)-1-{[2- (difluoromethoxy)phenyl]carbo...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OC(F)F)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C19H23F2N3O4/c1-11-8-9-12(15-22-17(28-23-15)19(2,3)26)10-24(11)16(25)13-6-4-5-7-14(13)27-18(20)21/h4-7,11-12,18,26H,8-10H2,1-3H3/t11-,12-/m1/s1
PDB

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n/an/a 140n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395698
PNG
(2-(3-{(3R,6R)-1-[(2- ethoxyphenyl)carbonyl]-6- met...)
Show SMILES CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C20H27N3O3S/c1-5-26-16-9-7-6-8-15(16)18(24)23-12-14(11-10-13(23)2)17-21-19(27-22-17)20(3,4)25/h6-9,13-14,25H,5,10-12H2,1-4H3/t13-,14-/m1/s1
PDB

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n/an/a 146n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395673
PNG
(2-{3-[(3R,6R)-6-methyl-1-{[2-(2H-tetrazol-2- yl)ph...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C19H23N7O3/c1-12-8-9-13(16-22-18(29-23-16)19(2,3)28)10-25(12)17(27)14-6-4-5-7-15(14)26-21-11-20-24-26/h4-7,11-13,28H,8-10H2,1-3H3/t12-,13-/m1/s1
PDB

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n/an/a 184n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395694
PNG
(2-{3-[(3R,6R)-6-methyl-1-({2- [(methylsulfonyl)met...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1CS(C)(=O)=O)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C20H27N3O4S2/c1-13-9-10-14(17-21-19(28-22-17)20(2,3)25)11-23(13)18(24)16-8-6-5-7-15(16)12-29(4,26)27/h5-8,13-14,25H,9-12H2,1-4H3/t13-,14-/m1/s1
PDB

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n/an/a 194n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395678
PNG
(2-{3-[(3R,6R)-6-methyl-1-{[2-(1- methylethoxy)pyri...)
Show SMILES CC(C)Oc1ncccc1C(=O)N1C[C@@H](CC[C@H]1C)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C20H28N4O4/c1-12(2)27-17-15(7-6-10-21-17)18(25)24-11-14(9-8-13(24)3)16-22-19(28-23-16)20(4,5)26/h6-7,10,12-14,26H,8-9,11H2,1-5H3/t13-,14-/m1/s1
PDB

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n/an/a 219n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395697
PNG
(2-{3-[(3R,6R)-1-{[2- (difluoromethoxy)phenyl]carbo...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OC(F)F)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C19H23F2N3O3S/c1-11-8-9-12(15-22-17(28-23-15)19(2,3)26)10-24(11)16(25)13-6-4-5-7-14(13)27-18(20)21/h4-7,11-12,18,26H,8-10H2,1-3H3/t11-,12-/m1/s1
PDB

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n/an/a 243n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395667
PNG
((2S)-1,1,1-trifluoro-2-{3-[(3R,6R)- 6-methyl-1-{[2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1noc(n1)[C@](C)(O)C(F)(F)F
Show InChI InChI=1S/C20H21F3N6O3/c1-12-7-8-13(16-26-18(32-27-16)19(2,31)20(21,22)23)11-28(12)17(30)14-5-3-4-6-15(14)29-24-9-10-25-29/h3-6,9-10,12-13,31H,7-8,11H2,1-2H3/t12-,13-,19+/m1/s1
PDB

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n/an/a 288n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395691
PNG
(2-{3-[(3R,6R)-6-methyl-1-{[2-(1- methylethoxy)pyri...)
Show SMILES CC(C)Oc1ncccc1C(=O)N1C[C@@H](CC[C@H]1C)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C20H28N4O3S/c1-12(2)27-17-15(7-6-10-21-17)18(25)24-11-14(9-8-13(24)3)16-22-19(28-23-16)20(4,5)26/h6-7,10,12-14,26H,8-9,11H2,1-5H3/t13-,14-/m1/s1
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n/an/a 298n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395664
PNG
((2R,5R)-5-(5-ethyl-1,2,4-oxadiazol- 3-yl)-2-methyl...)
Show SMILES CCc1nc(no1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C19H22N6O2/c1-3-17-22-18(23-27-17)14-9-8-13(2)24(12-14)19(26)15-6-4-5-7-16(15)25-20-10-11-21-25/h4-7,10-11,13-14H,3,8-9,12H2,1-2H3/t13-,14-/m1/s1
PDB

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n/an/a 315n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395662
PNG
((2R,5R)-5-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)-2-m...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1noc(n1)C1CC1
Show InChI InChI=1S/C20H22N6O2/c1-13-6-7-15(18-23-19(28-24-18)14-8-9-14)12-25(13)20(27)16-4-2-3-5-17(16)26-21-10-11-22-26/h2-5,10-11,13-15H,6-9,12H2,1H3/t13-,15-/m1/s1
PDB

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n/an/a 329n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395695
PNG
(2-{3-[(3R,6R)-6-methyl-1-{[2-(2H- tetrazol-2- yl)p...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C19H23N7O2S/c1-12-8-9-13(16-22-18(29-23-16)19(2,3)28)10-25(12)17(27)14-6-4-5-7-15(14)26-21-11-20-24-26/h4-7,11-13,28H,8-10H2,1-3H3/t12-,13-/m1/s1
PDB

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n/an/a 339n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395689
PNG
((2R,5R)-5-(3-cyclopropyl-1,2,4- oxadiazol-5-yl)-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(no1)C1CC1
Show InChI InChI=1S/C20H22N6O2/c1-13-6-7-15(19-23-18(24-28-19)14-8-9-14)12-25(13)20(27)16-4-2-3-5-17(16)26-21-10-11-22-26/h2-5,10-11,13-15H,6-9,12H2,1H3/t13-,15-/m1/s1
PDB

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n/an/a 345n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395668
PNG
((1S)-2,2,2-trifluoro-1-{3-[(3R,6R)- 6-methyl-1-{[2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1noc(n1)[C@H](O)C(F)(F)F
Show InChI InChI=1S/C19H19F3N6O3/c1-11-6-7-12(16-25-17(31-26-16)15(29)19(20,21)22)10-27(11)18(30)13-4-2-3-5-14(13)28-23-8-9-24-28/h2-5,8-9,11-12,15,29H,6-7,10H2,1H3/t11-,12-,15+/m1/s1
PDB

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n/an/a 456n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395663
PNG
((2R,5R)-5-(5-tert-butyl-1,2,4- oxadiazol-3-yl)-2-m...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1noc(n1)C(C)(C)C
Show InChI InChI=1S/C21H26N6O2/c1-14-9-10-15(18-24-20(29-25-18)21(2,3)4)13-26(14)19(28)16-7-5-6-8-17(16)27-22-11-12-23-27/h5-8,11-12,14-15H,9-10,13H2,1-4H3/t14-,15-/m1/s1
PDB

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n/an/a 516n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395665
PNG
((2R,5R)-2-methyl-5-[5-(1- methylethyl)-1,2,4-oxadi...)
Show SMILES CC(C)c1nc(no1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H24N6O2/c1-13(2)19-23-18(24-28-19)15-9-8-14(3)25(12-15)20(27)16-6-4-5-7-17(16)26-21-10-11-22-26/h4-7,10-11,13-15H,8-9,12H2,1-3H3/t14-,15-/m1/s1
PDB

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n/an/a 699n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395670
PNG
((1R)-2,2,2-Trifluoro-1-{3-[(3R,6R)-6-methyl-1-{[2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1noc(n1)[C@@H](O)C(F)(F)F
Show InChI InChI=1S/C19H19F3N6O3/c1-11-6-7-12(16-25-17(31-26-16)15(29)19(20,21)22)10-27(11)18(30)13-4-2-3-5-14(13)28-23-8-9-24-28/h2-5,8-9,11-12,15,29H,6-7,10H2,1H3/t11-,12-,15-/m1/s1
PDB

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n/an/a 1.01E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395686
PNG
((2R,5R)-5-(3-tert-Butyl-1,2,4-oxadiazol-5-yl)-2-me...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(no1)C(C)(C)C
Show InChI InChI=1S/C21H26N6O2/c1-14-9-10-15(18-24-20(25-29-18)21(2,3)4)13-26(14)19(28)16-7-5-6-8-17(16)27-22-11-12-23-27/h5-8,11-12,14-15H,9-10,13H2,1-4H3/t14-,15-/m1/s1
PDB

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n/an/a 1.15E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395704
PNG
((2R,5R)-5-[5-(1-methoxy-1-methylethyl)-1,2,4-thiad...)
Show SMILES COC(C)(C)c1nc(ns1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H26N6O2S/c1-14-9-10-15(18-24-20(30-25-18)21(2,3)29-4)13-26(14)19(28)16-7-5-6-8-17(16)27-22-11-12-23-27/h5-8,11-12,14-15H,9-10,13H2,1-4H3/t14-,15-/m1/s1
PDB

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n/an/a 1.41E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395671
PNG
((2R)-1,1,1-Trifluoro-2-{3-[(3R,6R)-6-methyl-1-{[2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1noc(n1)[C@@](C)(O)C(F)(F)F
Show InChI InChI=1S/C20H21F3N6O3/c1-12-7-8-13(16-26-18(32-27-16)19(2,31)20(21,22)23)11-28(12)17(30)14-5-3-4-6-15(14)29-24-9-10-25-29/h3-6,9-10,12-13,31H,7-8,11H2,1-2H3/t12-,13-,19-/m1/s1
PDB

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n/an/a 2.24E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395672
PNG
(1-[2-({(2R,5R)-5-[5-(1-hydroxy-1-methylethyl)-1,2,...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C22H26N4O3/c1-14-8-9-15(18-24-20(29-25-18)21(2,3)28)12-26(14)19(27)16-6-4-5-7-17(16)22(13-23)10-11-22/h4-7,14-15,28H,8-12H2,1-3H3/t14-,15-/m1/s1
PDB

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n/an/a 2.29E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395696
PNG
(2-{3-[(3R,6R)-6-methyl-1-{[2-(2H- 1,2,3-triazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C20H24N6O2S/c1-13-8-9-14(17-23-19(29-24-17)20(2,3)28)12-25(13)18(27)15-6-4-5-7-16(15)26-21-10-11-22-26/h4-7,10-11,13-14,28H,8-9,12H2,1-3H3/t13-,14-/m1/s1
PDB

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n/an/a 2.38E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395693
PNG
(1-[2-({(2R,5R)-5-[5-(1-hydroxy-1- methylethyl)-1,2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C22H26N4O2S/c1-14-8-9-15(18-24-20(29-25-18)21(2,3)28)12-26(14)19(27)16-6-4-5-7-17(16)22(13-23)10-11-22/h4-7,14-15,28H,8-12H2,1-3H3/t14-,15-/m1/s1
PDB

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n/an/a 2.42E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395666
PNG
(2-{3-[(3R,6R)-6-Methyl-1-{[2-(2H-1,2,3-triazol-2-y...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C20H24N6O3/c1-13-8-9-14(17-23-19(29-24-17)20(2,3)28)12-25(13)18(27)15-6-4-5-7-16(15)26-21-10-11-22-26/h4-7,10-11,13-14,28H,8-9,12H2,1-3H3/t13-,14-/m1/s1
PDB

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n/an/a 3.18E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395669
PNG
((2R,5R)-5-[5-(1-Methoxy-1-methylethyl)-1,2,4-oxadi...)
Show SMILES COC(C)(C)c1nc(no1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H26N6O3/c1-14-9-10-15(18-24-20(30-25-18)21(2,3)29-4)13-26(14)19(28)16-7-5-6-8-17(16)27-22-11-12-23-27/h5-8,11-12,14-15H,9-10,13H2,1-4H3/t14-,15-/m1/s1
PDB

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n/an/a 3.70E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395687
PNG
((2R,5R)-2-methyl-5-[3-(1- methylethyl)-1,2,4-oxadi...)
Show SMILES CC(C)c1noc(n1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H24N6O2/c1-13(2)18-23-19(28-24-18)15-9-8-14(3)25(12-15)20(27)16-6-4-5-7-17(16)26-21-10-11-22-26/h4-7,10-11,13-15H,8-9,12H2,1-3H3/t14-,15-/m1/s1
PDB

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n/an/a 4.50E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395700
PNG
(2-{3-[(3R,6R)-6-methyl-1-{[2- (trifluoromethoxy)ph...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OC(F)(F)F)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C19H22F3N3O3S/c1-11-8-9-12(15-23-17(29-24-15)18(2,3)27)10-25(11)16(26)13-6-4-5-7-14(13)28-19(20,21)22/h4-7,11-12,27H,8-10H2,1-3H3/t11-,12-/m1/s1
PDB

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n/an/a 6.39E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395701
PNG
(2-(3-{(3R,6R)-6-Methyl-1-[(2-pyrimidin-2-ylthiophe...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C20H23N5O2S2/c1-12-5-6-13(16-23-19(29-24-16)20(2,3)27)11-25(12)18(26)14-7-10-28-15(14)17-21-8-4-9-22-17/h4,7-10,12-13,27H,5-6,11H2,1-3H3/t12-,13-/m1/s1
PDB

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n/an/a 9.99E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395697
PNG
(2-{3-[(3R,6R)-1-{[2- (difluoromethoxy)phenyl]carbo...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OC(F)F)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C19H23F2N3O3S/c1-11-8-9-12(15-22-17(28-23-15)19(2,3)26)10-24(11)16(25)13-6-4-5-7-14(13)27-18(20)21/h4-7,11-12,18,26H,8-10H2,1-3H3/t11-,12-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395691
PNG
(2-{3-[(3R,6R)-6-methyl-1-{[2-(1- methylethoxy)pyri...)
Show SMILES CC(C)Oc1ncccc1C(=O)N1C[C@@H](CC[C@H]1C)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C20H28N4O3S/c1-12(2)27-17-15(7-6-10-21-17)18(25)24-11-14(9-8-13(24)3)16-22-19(28-23-16)20(4,5)26/h6-7,10,12-14,26H,8-9,11H2,1-5H3/t13-,14-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395698
PNG
(2-(3-{(3R,6R)-1-[(2- ethoxyphenyl)carbonyl]-6- met...)
Show SMILES CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C20H27N3O3S/c1-5-26-16-9-7-6-8-15(16)18(24)23-12-14(11-10-13(23)2)17-21-19(27-22-17)20(3,4)25/h6-9,13-14,25H,5,10-12H2,1-4H3/t13-,14-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395682
PNG
(2-{3-[(3R,6R)-1-{[4-Fluoro-2-(2H-1,2,3-triazol-2-y...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-n1nccn1)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C20H23FN6O3/c1-12-4-5-13(17-24-19(30-25-17)20(2,3)29)11-26(12)18(28)15-7-6-14(21)10-16(15)27-22-8-9-23-27/h6-10,12-13,29H,4-5,11H2,1-3H3/t12-,13-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395702
PNG
(2-(3-{(3R,6R)-6-Methyl-1-[(2-pyrimidin-2-ylphenyl)...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ncccn1)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C22H25N5O2S/c1-14-9-10-15(18-25-21(30-26-18)22(2,3)29)13-27(14)20(28)17-8-5-4-7-16(17)19-23-11-6-12-24-19/h4-8,11-12,14-15,29H,9-10,13H2,1-3H3/t14-,15-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395688
PNG
(2-{5-[(3R,6R)-6-methyl-1-{[2-(2H- 1,2,3-triazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(no1)C(C)(C)O
Show InChI InChI=1S/C20H24N6O3/c1-13-8-9-14(17-23-19(24-29-17)20(2,3)28)12-25(13)18(27)15-6-4-5-7-16(15)26-21-10-11-22-26/h4-7,10-11,13-14,28H,8-9,12H2,1-3H3/t13-,14-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395689
PNG
((2R,5R)-5-(3-cyclopropyl-1,2,4- oxadiazol-5-yl)-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1nc(no1)C1CC1
Show InChI InChI=1S/C20H22N6O2/c1-13-6-7-15(19-23-18(24-28-19)14-8-9-14)12-25(13)20(27)16-4-2-3-5-17(16)26-21-10-11-22-26/h2-5,10-11,13-15H,6-9,12H2,1H3/t13-,15-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395703
PNG
(2-(3-{(3R,6R)-6-methyl-1-[(4-pyrimidin- 2-ylthioph...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cscc1-c1ncccn1)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C20H23N5O2S2/c1-12-5-6-13(16-23-19(29-24-16)20(2,3)27)9-25(12)18(26)15-11-28-10-14(15)17-21-7-4-8-22-17/h4,7-8,10-13,27H,5-6,9H2,1-3H3/t12-,13-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395695
PNG
(2-{3-[(3R,6R)-6-methyl-1-{[2-(2H- tetrazol-2- yl)p...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C19H23N7O2S/c1-12-8-9-13(16-22-18(29-23-16)19(2,3)28)10-25(12)17(27)14-6-4-5-7-15(14)26-21-11-20-24-26/h4-7,11-13,28H,8-10H2,1-3H3/t12-,13-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395692
PNG
(2-{3-[(3R,6R)-6-methyl-1-{[4-(2H- 1,2,3-triazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cscc1-n1nccn1)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C18H22N6O2S2/c1-11-4-5-12(15-21-17(28-22-15)18(2,3)26)8-23(11)16(25)13-9-27-10-14(13)24-19-6-7-20-24/h6-7,9-12,26H,4-5,8H2,1-3H3/t11-,12-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395679
PNG
(2-{3-[(3R,6R)-1-{[2- (difluoromethoxy)phenyl]carbo...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OC(F)F)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C19H23F2N3O4/c1-11-8-9-12(15-22-17(28-23-15)19(2,3)26)10-24(11)16(25)13-6-4-5-7-14(13)27-18(20)21/h4-7,11-12,18,26H,8-10H2,1-3H3/t11-,12-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395662
PNG
((2R,5R)-5-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)-2-m...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1noc(n1)C1CC1
Show InChI InChI=1S/C20H22N6O2/c1-13-6-7-15(18-23-19(28-24-18)14-8-9-14)12-25(13)20(27)16-4-2-3-5-17(16)26-21-10-11-22-26/h2-5,10-11,13-15H,6-9,12H2,1H3/t13-,15-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395684
PNG
(2-(3-{(3R,6R)-6-Methyl-1-[(2-pyrimidin-2-ylphenyl)...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ncccn1)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C22H25N5O3/c1-14-9-10-15(18-25-21(30-26-18)22(2,3)29)13-27(14)20(28)17-8-5-4-7-16(17)19-23-11-6-12-24-19/h4-8,11-12,14-15,29H,9-10,13H2,1-3H3/t14-,15-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395681
PNG
(US10308645, Example 20 | methyl 2-({(2R,5R)-5-[5-(...)
Show SMILES COC(=O)c1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C20H25N3O5/c1-12-9-10-13(16-21-19(28-22-16)20(2,3)26)11-23(12)17(24)14-7-5-6-8-15(14)18(25)27-4/h5-8,12-13,26H,9-11H2,1-4H3/t12-,13-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395678
PNG
(2-{3-[(3R,6R)-6-methyl-1-{[2-(1- methylethoxy)pyri...)
Show SMILES CC(C)Oc1ncccc1C(=O)N1C[C@@H](CC[C@H]1C)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C20H28N4O4/c1-12(2)27-17-15(7-6-10-21-17)18(25)24-11-14(9-8-13(24)3)16-22-19(28-23-16)20(4,5)26/h6-7,10,12-14,26H,8-9,11H2,1-5H3/t13-,14-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395676
PNG
(2-{3-[(3R,6R)-6-methyl-1-{[2- (trifluoromethoxy)ph...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OC(F)(F)F)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C19H22F3N3O4/c1-11-8-9-12(15-23-17(29-24-15)18(2,3)27)10-25(11)16(26)13-6-4-5-7-14(13)28-19(20,21)22/h4-7,11-12,27H,8-10H2,1-3H3/t11-,12-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395685
PNG
(2-(3-{(3R,6R)-6-methyl-1-[(4- pyrimidin-2-ylthioph...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cscc1-c1ncccn1)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C20H23N5O3S/c1-12-5-6-13(16-23-19(28-24-16)20(2,3)27)9-25(12)18(26)15-11-29-10-14(15)17-21-7-4-8-22-17/h4,7-8,10-13,27H,5-6,9H2,1-3H3/t12-,13-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395677
PNG
(2-{3-[(3R,6R)-6-methyl-1-{[2-(2,2,2- trifluoroetho...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1OCC(F)(F)F)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C19H23F3N4O4/c1-11-6-7-12(14-24-17(30-25-14)18(2,3)28)9-26(11)16(27)13-5-4-8-23-15(13)29-10-19(20,21)22/h4-5,8,11-12,28H,6-7,9-10H2,1-3H3/t11-,12-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395675
PNG
(2-{3-[(3R,6R)-6-methyl-1-{[4-(2H-1,2,3- triazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cscc1-n1nccn1)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C18H22N6O3S/c1-11-4-5-12(15-21-17(27-22-15)18(2,3)26)8-23(11)16(25)13-9-28-10-14(13)24-19-6-7-20-24/h6-7,9-12,26H,4-5,8H2,1-3H3/t11-,12-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395694
PNG
(2-{3-[(3R,6R)-6-methyl-1-({2- [(methylsulfonyl)met...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1CS(C)(=O)=O)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C20H27N3O4S2/c1-13-9-10-14(17-21-19(28-22-17)20(2,3)25)11-23(13)18(24)16-8-6-5-7-15(16)12-29(4,26)27/h5-8,13-14,25H,9-12H2,1-4H3/t13-,14-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395690
PNG
(2-{3-[(3R,6R)-6-Methyl-1-{[2-(2H-1,2,3-triazol-2-y...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-n1nccn1)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C18H22N6O2S2/c1-11-4-5-12(14-21-17(28-22-14)18(2,3)26)10-23(11)15(25)13-6-9-27-16(13)24-19-7-8-20-24/h6-9,11-12,26H,4-5,10H2,1-3H3/t11-,12-/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
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395683
PNG
(2-(3-{(3R,6R)-6-methyl-1-[(2- pyrimidin-2-ylthioph...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C20H23N5O3S/c1-12-5-6-13(16-23-19(28-24-16)20(2,3)27)11-25(12)18(26)14-7-10-29-15(14)17-21-8-4-9-22-17/h4,7-10,12-13,27H,5-6,11H2,1-3H3/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
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395680
PNG
(2-(3-{(3R,6R)-1-[(2-ethoxyphenyl)carbonyl]- 6-meth...)
Show SMILES CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C20H27N3O4/c1-5-26-16-9-7-6-8-15(16)18(24)23-12-14(11-10-13(23)2)17-21-19(27-22-17)20(3,4)25/h6-9,13-14,25H,5,10-12H2,1-4H3/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
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395674
PNG
(2-{3-[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3- triazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-n1nccn1)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C18H22N6O3S/c1-11-4-5-12(14-21-17(27-22-14)18(2,3)26)10-23(11)15(25)13-6-9-28-16(13)24-19-7-8-20-24/h6-9,11-12,26H,4-5,10H2,1-3H3/t11-,12-/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
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395699
PNG
(2-{3-[(3R,6R)-6-methyl-1-{[2- (2,2,2-trifluoroetho...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OCC(F)(F)F)c1nsc(n1)C(C)(C)O
Show InChI InChI=1S/C20H24F3N3O3S/c1-12-8-9-13(16-24-18(30-25-16)19(2,3)28)10-26(12)17(27)14-6-4-5-7-15(14)29-11-20(21,22)23/h4-7,12-13,28H,8-11H2,1-3H3/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
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395664
PNG
((2R,5R)-5-(5-ethyl-1,2,4-oxadiazol- 3-yl)-2-methyl...)
Show SMILES CCc1nc(no1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C19H22N6O2/c1-3-17-22-18(23-27-17)14-9-8-13(2)24(12-14)19(26)15-6-4-5-7-16(15)25-20-10-11-21-25/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
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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


(Homo sapiens (Human))
BDBM395673
PNG
(2-{3-[(3R,6R)-6-methyl-1-{[2-(2H-tetrazol-2- yl)ph...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)c1noc(n1)C(C)(C)O
Show InChI InChI=1S/C19H23N7O3/c1-12-8-9-13(16-22-18(29-23-16)19(2,3)28)10-25(12)17(27)14-6-4-5-7-15(14)26-21-11-20-24-26/h4-7,11-13,28H,8-10H2,1-3H3/t12-,13-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US10308645 (2019)

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