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Patent code US10155750

Compile Data Set for Download or QSAR
Found 76 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))
BDBM311093
PNG
(N-ethyl-4-fluoro-N-(2- (4-(2-hydroxypropan- 2-yl)-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccc(F)cc1-n1nccn1
Show InChI InChI=1S/C19H24FN7O2/c1-5-25(10-11-26-23-13(2)17(24-26)19(3,4)29)18(28)15-7-6-14(20)12-16(15)27-21-8-9-22-27/h6-9,12,29H,5,10-11H2,1-4H3
PDB

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US Patent
n/an/a 10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311100
PNG
(2-(2,2-difluoroethyl)- N-ethyl-N-(2-(4-(2- hydroxy...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1CC(F)F
Show InChI InChI=1S/C19H26F2N4O2/c1-5-24(10-11-25-22-13(2)17(23-25)19(3,4)27)18(26)15-9-7-6-8-14(15)12-16(20)21/h6-9,16,27H,5,10-12H2,1-4H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311101
PNG
(2-(2,2- difluorocyclopropyl)- N-ethyl-N-(2-(4-(2- ...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1C1CC1(F)F
Show InChI InChI=1S/C20H26F2N4O2/c1-5-25(10-11-26-23-13(2)17(24-26)19(3,4)28)18(27)15-9-7-6-8-14(15)16-12-20(16,21)22/h6-9,16,28H,5,10-12H2,1-4H3
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311083
PNG
(US10155750, Example 20)
Show SMILES CCOC(=O)c1nn(CCN(CC)C(=O)c2ccccc2-n2nccn2)nc1C
Show InChI InChI=1S/C19H23N7O3/c1-4-24(12-13-25-22-14(3)17(23-25)19(28)29-5-2)18(27)15-8-6-7-9-16(15)26-20-10-11-21-26/h6-11H,4-5,12-13H2,1-3H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311103
PNG
(2-cyclobutyl-N-ethyl- N-(2-(4-(2- hydroxypropan-2-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1C1CCC1
Show InChI InChI=1S/C21H30N4O2/c1-5-24(13-14-25-22-15(2)19(23-25)21(3,4)27)20(26)18-12-7-6-11-17(18)16-9-8-10-16/h6-7,11-12,16,27H,5,8-10,13-14H2,1-4H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311091
PNG
(2-cyclopropyl-N- ethyl-N-(2-(4-(2- hydroxypropan-2...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1C1CC1
Show InChI InChI=1S/C20H28N4O2/c1-5-23(12-13-24-21-14(2)18(22-24)20(3,4)26)19(25)17-9-7-6-8-16(17)15-10-11-15/h6-9,15,26H,5,10-13H2,1-4H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311110
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1cccnc1-n1cccn1
Show InChI InChI=1S/C19H25N7O2/c1-5-24(12-13-26-22-14(2)16(23-26)19(3,4)28)18(27)15-8-6-9-20-17(15)25-11-7-10-21-25/h6-11,28H,5,12-13H2,1-4H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311102
PNG
(2-cyclopropyl-N- ethyl-N-(2-(4-(2- hydroxypropan-2...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccc(OC)nc1C1CC1
Show InChI InChI=1S/C20H29N5O3/c1-6-24(11-12-25-22-13(2)18(23-25)20(3,4)27)19(26)15-9-10-16(28-5)21-17(15)14-7-8-14/h9-10,14,27H,6-8,11-12H2,1-5H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311104
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1N1CCCC1
Show InChI InChI=1S/C21H31N5O2/c1-5-24(14-15-26-22-16(2)19(23-26)21(3,4)28)20(27)17-10-6-7-11-18(17)25-12-8-9-13-25/h6-7,10-11,28H,5,8-9,12-15H2,1-4H3
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311089
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C18H23F3N4O3/c1-5-24(10-11-25-22-12(2)15(23-25)17(3,4)27)16(26)13-8-6-7-9-14(13)28-18(19,20)21/h6-9,27H,5,10-11H2,1-4H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311084
PNG
(US10155750, Example 21)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1cccnc1OCC(F)(F)F
Show InChI InChI=1S/C18H24F3N5O3/c1-5-25(9-10-26-23-12(2)14(24-26)17(3,4)28)16(27)13-7-6-8-22-15(13)29-11-18(19,20)21/h6-8,28H,5,9-11H2,1-4H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311112
PNG
(US10155750, Example 50)
Show SMILES CCN(CCn1ccc(n1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C19H24N6O2/c1-4-23(13-14-24-12-9-17(22-24)19(2,3)27)18(26)15-7-5-6-8-16(15)25-20-10-11-21-25/h5-12,27H,4,13-14H2,1-3H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311090
PNG
(2-ethoxy-N-ethyl-N- (2-(4-(2- hydroxypropan-2-yl)-...)
Show SMILES CCOc1ccccc1C(=O)N(CC)CCn1nc(C)c(n1)C(C)(C)O
Show InChI InChI=1S/C19H28N4O3/c1-6-22(18(24)15-10-8-9-11-16(15)26-7-2)12-13-23-20-14(3)17(21-23)19(4,5)25/h8-11,25H,6-7,12-13H2,1-5H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311092
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1-n1cccn1
Show InChI InChI=1S/C20H26N6O2/c1-5-24(13-14-26-22-15(2)18(23-26)20(3,4)28)19(27)16-9-6-7-10-17(16)25-12-8-11-21-25/h6-12,28H,5,13-14H2,1-4H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311105
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1-n1ncnn1
Show InChI InChI=1S/C18H24N8O2/c1-5-24(10-11-25-21-13(2)16(22-25)18(3,4)28)17(27)14-8-6-7-9-15(14)26-20-12-19-23-26/h6-9,12,28H,5,10-11H2,1-4H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311095
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCCc1ccccc1C(=O)N(CC)CCn1nc(C)c(n1)C(C)(C)O
Show InChI InChI=1S/C20H30N4O2/c1-6-10-16-11-8-9-12-17(16)19(25)23(7-2)13-14-24-21-15(3)18(22-24)20(4,5)26/h8-9,11-12,26H,6-7,10,13-14H2,1-5H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311094
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1cccnc1-c1ccccc1
Show InChI InChI=1S/C22H27N5O2/c1-5-26(14-15-27-24-16(2)20(25-27)22(3,4)29)21(28)18-12-9-13-23-19(18)17-10-7-6-8-11-17/h6-13,29H,5,14-15H2,1-4H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311080
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)-2H-1,2,3- ...)
Show SMILES CCN(CCn1ncc(n1)C(C)(C)O)C(=O)c1ccccc1SC(F)(F)F
Show InChI InChI=1S/C17H21F3N4O2S/c1-4-23(9-10-24-21-11-14(22-24)16(2,3)26)15(25)12-7-5-6-8-13(12)27-17(18,19)20/h5-8,11,26H,4,9-10H2,1-3H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311111
PNG
(US10155750, Example 49)
Show SMILES CCN(CCn1cc(cn1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C19H24N6O2/c1-4-23(11-12-24-14-15(13-22-24)19(2,3)27)18(26)16-7-5-6-8-17(16)25-20-9-10-21-25/h5-10,13-14,27H,4,11-12H2,1-3H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311088
PNG
(2-(difluoromethoxy)- N-ethyl-N-(2-(4-(2- hydroxypr...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1OC(F)F
Show InChI InChI=1S/C18H24F2N4O3/c1-5-23(10-11-24-21-12(2)15(22-24)18(3,4)26)16(25)13-8-6-7-9-14(13)27-17(19)20/h6-9,17,26H,5,10-11H2,1-4H3
PDB

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n/an/a 35n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311098
PNG
(2-(2,2- difluoroethoxy)-N- ethyl-N-(2-(4-(2- hydro...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1OCC(F)F
Show InChI InChI=1S/C19H26F2N4O3/c1-5-24(10-11-25-22-13(2)17(23-25)19(3,4)27)18(26)14-8-6-7-9-15(14)28-12-16(20)21/h6-9,16,27H,5,10-12H2,1-4H3
PDB

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n/an/a 35n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311097
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1CC(F)(F)F
Show InChI InChI=1S/C19H25F3N4O2/c1-5-25(10-11-26-23-13(2)16(24-26)18(3,4)28)17(27)15-9-7-6-8-14(15)12-19(20,21)22/h6-9,28H,5,10-12H2,1-4H3
PDB

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n/an/a 37n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311079
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)-2H-1,2,3- ...)
Show SMILES CCN(CCn1ncc(n1)C(C)(C)O)C(=O)c1ccccc1N1CCCC1
Show InChI InChI=1S/C20H29N5O2/c1-4-23(13-14-25-21-15-18(22-25)20(2,3)27)19(26)16-9-5-6-10-17(16)24-11-7-8-12-24/h5-6,9-10,15,27H,4,7-8,11-14H2,1-3H3
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311087
PNG
(2-(2,2- difluoroethoxy)-N- ethyl-N-(2-(4-(2- hydro...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1cccnc1OCC(F)F
Show InChI InChI=1S/C18H25F2N5O3/c1-5-24(9-10-25-22-12(2)15(23-25)18(3,4)27)17(26)13-7-6-8-21-16(13)28-11-14(19)20/h6-8,14,27H,5,9-11H2,1-4H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311078
PNG
(US10155750, Example 4)
Show SMILES CCN(CCn1ncc(n1)C(C)(C)O)C(=O)c1ccccc1C1CC1
Show InChI InChI=1S/C19H26N4O2/c1-4-22(11-12-23-20-13-17(21-23)19(2,3)25)18(24)16-8-6-5-7-15(16)14-9-10-14/h5-8,13-14,25H,4,9-12H2,1-3H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311096
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C19H25F3N4O3/c1-5-25(10-11-26-23-13(2)16(24-26)18(3,4)28)17(27)14-8-6-7-9-15(14)29-12-19(20,21)22/h6-9,28H,5,10-12H2,1-4H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311075
PNG
(US10155750, Example 1)
Show SMILES CCN(CCn1ncc(n1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C18H23N7O2/c1-4-23(11-12-24-21-13-16(22-24)18(2,3)27)17(26)14-7-5-6-8-15(14)25-19-9-10-20-25/h5-10,13,27H,4,11-12H2,1-3H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311086
PNG
(2-ethoxy-N-ethyl-N- (2-(4-(2- hydroxypropan-2-yl)-...)
Show SMILES CCOc1ncccc1C(=O)N(CC)CCn1nc(C)c(n1)C(C)(C)O
Show InChI InChI=1S/C18H27N5O3/c1-6-22(17(24)14-9-8-10-19-16(14)26-7-2)11-12-23-20-13(3)15(21-23)18(4,5)25/h8-10,25H,6-7,11-12H2,1-5H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311085
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1cccnc1OC(C)C
Show InChI InChI=1S/C19H29N5O3/c1-7-23(11-12-24-21-14(4)16(22-24)19(5,6)26)18(25)15-9-8-10-20-17(15)27-13(2)3/h8-10,13,26H,7,11-12H2,1-6H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311076
PNG
(US10155750, Example 2)
Show SMILES CCN(CCn1ncc(n1)C(C)(O)CC)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C19H25N7O2/c1-4-19(3,28)17-14-22-25(23-17)13-12-24(5-2)18(27)15-8-6-7-9-16(15)26-20-10-11-21-26/h6-11,14,28H,4-5,12-13H2,1-3H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311108
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1nccnc1-c1ccccn1
Show InChI InChI=1S/C20H25N7O2/c1-5-26(12-13-27-24-14(2)18(25-27)20(3,4)29)19(28)17-16(22-10-11-23-17)15-8-6-7-9-21-15/h6-11,29H,5,12-13H2,1-4H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311107
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ncccc1-c1ccccc1
Show InChI InChI=1S/C22H27N5O2/c1-5-26(14-15-27-24-16(2)20(25-27)22(3,4)29)21(28)19-18(12-9-13-23-19)17-10-7-6-8-11-17/h6-13,29H,5,14-15H2,1-4H3
PDB

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n/an/a 106n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311082
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)-2H-1,2,3- ...)
Show SMILES CCN(CCn1ncc(n1)C(C)(C)O)C(=O)c1ccccc1OC(C)C
Show InChI InChI=1S/C19H28N4O3/c1-6-22(11-12-23-20-13-17(21-23)19(4,5)25)18(24)15-9-7-8-10-16(15)26-14(2)3/h7-10,13-14,25H,6,11-12H2,1-5H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311106
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ncccc1-n1nccn1
Show InChI InChI=1S/C18H24N8O2/c1-5-24(11-12-25-22-13(2)16(23-25)18(3,4)28)17(27)15-14(7-6-8-19-15)26-20-9-10-21-26/h6-10,28H,5,11-12H2,1-4H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311109
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1nccnc1-n1cccn1
Show InChI InChI=1S/C18H24N8O2/c1-5-24(11-12-26-22-13(2)15(23-26)18(3,4)28)17(27)14-16(20-9-8-19-14)25-10-6-7-21-25/h6-10,28H,5,11-12H2,1-4H3
PDB

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n/an/a 239n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311081
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)-2H-1,2,3- ...)
Show SMILES CCN(CCn1ncc(n1)C(C)(C)O)C(=O)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C17H21F3N4O3/c1-4-23(9-10-24-21-11-14(22-24)16(2,3)26)15(25)12-7-5-6-8-13(12)27-17(18,19)20/h5-8,11,26H,4,9-10H2,1-3H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311099
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1cccnc1CC(F)(F)F
Show InChI InChI=1S/C18H24F3N5O2/c1-5-25(9-10-26-23-12(2)15(24-26)17(3,4)28)16(27)13-7-6-8-22-14(13)11-18(19,20)21/h6-8,28H,5,9-11H2,1-4H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311077
PNG
(US10155750, Example 3)
Show SMILES CCN(CCn1ncc(n1)C(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C17H21N7O2/c1-3-22(10-11-23-20-12-15(21-23)13(2)25)17(26)14-6-4-5-7-16(14)24-18-8-9-19-24/h4-9,12-13,25H,3,10-11H2,1-2H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311103
PNG
(2-cyclobutyl-N-ethyl- N-(2-(4-(2- hydroxypropan-2-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1C1CCC1
Show InChI InChI=1S/C21H30N4O2/c1-5-24(13-14-25-22-15(2)19(23-25)21(3,4)27)20(26)18-12-7-6-11-17(18)16-9-8-10-16/h6-7,11-12,16,27H,5,8-10,13-14H2,1-4H3
PDB

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n/an/a 1.17E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311101
PNG
(2-(2,2- difluorocyclopropyl)- N-ethyl-N-(2-(4-(2- ...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1C1CC1(F)F
Show InChI InChI=1S/C20H26F2N4O2/c1-5-25(10-11-26-23-13(2)17(24-26)19(3,4)28)18(27)15-9-7-6-8-14(15)16-12-20(16,21)22/h6-9,16,28H,5,10-12H2,1-4H3
PDB

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n/an/a 1.48E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311091
PNG
(2-cyclopropyl-N- ethyl-N-(2-(4-(2- hydroxypropan-2...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1C1CC1
Show InChI InChI=1S/C20H28N4O2/c1-5-23(12-13-24-21-14(2)18(22-24)20(3,4)26)19(25)17-9-7-6-8-16(17)15-10-11-15/h6-9,15,26H,5,10-13H2,1-4H3
PDB

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n/an/a 1.56E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311104
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1N1CCCC1
Show InChI InChI=1S/C21H31N5O2/c1-5-24(14-15-26-22-16(2)19(23-26)21(3,4)28)20(27)17-10-6-7-11-18(17)25-12-8-9-13-25/h6-7,10-11,28H,5,8-9,12-15H2,1-4H3
PDB

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n/an/a 2.10E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311095
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCCc1ccccc1C(=O)N(CC)CCn1nc(C)c(n1)C(C)(C)O
Show InChI InChI=1S/C20H30N4O2/c1-6-10-16-11-8-9-12-17(16)19(25)23(7-2)13-14-24-21-15(3)18(22-24)20(4,5)26/h8-9,11-12,26H,6-7,10,13-14H2,1-5H3
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n/an/a 2.21E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311102
PNG
(2-cyclopropyl-N- ethyl-N-(2-(4-(2- hydroxypropan-2...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccc(OC)nc1C1CC1
Show InChI InChI=1S/C20H29N5O3/c1-6-24(11-12-25-22-13(2)18(23-25)20(3,4)27)19(26)15-9-10-16(28-5)21-17(15)14-7-8-14/h9-10,14,27H,6-8,11-12H2,1-5H3
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n/an/a 2.84E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311083
PNG
(US10155750, Example 20)
Show SMILES CCOC(=O)c1nn(CCN(CC)C(=O)c2ccccc2-n2nccn2)nc1C
Show InChI InChI=1S/C19H23N7O3/c1-4-24(12-13-25-22-14(3)17(23-25)19(28)29-5-2)18(27)15-8-6-7-9-16(15)26-20-10-11-21-26/h6-11H,4-5,12-13H2,1-3H3
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n/an/a 2.86E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311093
PNG
(N-ethyl-4-fluoro-N-(2- (4-(2-hydroxypropan- 2-yl)-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccc(F)cc1-n1nccn1
Show InChI InChI=1S/C19H24FN7O2/c1-5-25(10-11-26-23-13(2)17(24-26)19(3,4)29)18(28)15-7-6-14(20)12-16(15)27-21-8-9-22-27/h6-9,12,29H,5,10-11H2,1-4H3
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n/an/a 5.54E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311110
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1cccnc1-n1cccn1
Show InChI InChI=1S/C19H25N7O2/c1-5-24(12-13-26-22-14(2)16(23-26)19(3,4)28)18(27)15-8-6-9-20-17(15)25-11-7-10-21-25/h6-11,28H,5,12-13H2,1-4H3
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n/an/a 7.52E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311088
PNG
(2-(difluoromethoxy)- N-ethyl-N-(2-(4-(2- hydroxypr...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1OC(F)F
Show InChI InChI=1S/C18H24F2N4O3/c1-5-23(10-11-24-21-12(2)15(22-24)18(3,4)26)16(25)13-8-6-7-9-14(13)27-17(19)20/h6-9,17,26H,5,10-11H2,1-4H3
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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 cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311100
PNG
(2-(2,2-difluoroethyl)- N-ethyl-N-(2-(4-(2- hydroxy...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1CC(F)F
Show InChI InChI=1S/C19H26F2N4O2/c1-5-24(10-11-25-22-13(2)17(23-25)19(3,4)27)18(26)15-9-7-6-8-14(15)12-16(20)21/h6-9,16,27H,5,10-12H2,1-4H3
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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 cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311079
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)-2H-1,2,3- ...)
Show SMILES CCN(CCn1ncc(n1)C(C)(C)O)C(=O)c1ccccc1N1CCCC1
Show InChI InChI=1S/C20H29N5O2/c1-4-23(13-14-25-21-15-18(22-25)20(2,3)27)19(26)16-9-5-6-10-17(16)24-11-7-8-12-24/h5-6,9-10,15,27H,4,7-8,11-14H2,1-3H3
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311082
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)-2H-1,2,3- ...)
Show SMILES CCN(CCn1ncc(n1)C(C)(C)O)C(=O)c1ccccc1OC(C)C
Show InChI InChI=1S/C19H28N4O3/c1-6-22(11-12-23-20-13-17(21-23)19(4,5)25)18(24)15-9-7-8-10-16(15)26-14(2)3/h7-10,13-14,25H,6,11-12H2,1-5H3
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311085
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1cccnc1OC(C)C
Show InChI InChI=1S/C19H29N5O3/c1-7-23(11-12-24-21-14(4)16(22-24)19(5,6)26)18(25)15-9-8-10-20-17(15)27-13(2)3/h8-10,13,26H,7,11-12H2,1-6H3
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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 cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311099
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1cccnc1CC(F)(F)F
Show InChI InChI=1S/C18H24F3N5O2/c1-5-25(9-10-26-23-12(2)15(24-26)17(3,4)28)16(27)13-7-6-8-22-14(13)11-18(19,20)21/h6-8,28H,5,9-11H2,1-4H3
PDB

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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 cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311105
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1-n1ncnn1
Show InChI InChI=1S/C18H24N8O2/c1-5-24(10-11-25-21-13(2)16(22-25)18(3,4)28)17(27)14-8-6-7-9-15(14)26-20-12-19-23-26/h6-9,12,28H,5,10-11H2,1-4H3
PDB

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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 cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311108
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1nccnc1-c1ccccn1
Show InChI InChI=1S/C20H25N7O2/c1-5-26(12-13-27-24-14(2)18(25-27)20(3,4)29)19(28)17-16(22-10-11-23-17)15-8-6-7-9-21-15/h6-11,29H,5,12-13H2,1-4H3
PDB

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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 cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311109
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1nccnc1-n1cccn1
Show InChI InChI=1S/C18H24N8O2/c1-5-24(11-12-26-22-13(2)15(23-26)18(3,4)28)17(27)14-16(20-9-8-19-14)25-10-6-7-21-25/h6-10,28H,5,11-12H2,1-4H3
PDB

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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 cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311086
PNG
(2-ethoxy-N-ethyl-N- (2-(4-(2- hydroxypropan-2-yl)-...)
Show SMILES CCOc1ncccc1C(=O)N(CC)CCn1nc(C)c(n1)C(C)(C)O
Show InChI InChI=1S/C18H27N5O3/c1-6-22(17(24)14-9-8-10-19-16(14)26-7-2)11-12-23-20-13(3)15(21-23)18(4,5)25/h8-10,25H,6-7,11-12H2,1-5H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311094
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1cccnc1-c1ccccc1
Show InChI InChI=1S/C22H27N5O2/c1-5-26(14-15-27-24-16(2)20(25-27)22(3,4)29)21(28)18-12-9-13-23-19(18)17-10-7-6-8-11-17/h6-13,29H,5,14-15H2,1-4H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311096
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C19H25F3N4O3/c1-5-25(10-11-26-23-13(2)16(24-26)18(3,4)28)17(27)14-8-6-7-9-15(14)29-12-19(20,21)22/h6-9,28H,5,10-12H2,1-4H3
PDB

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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 cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311098
PNG
(2-(2,2- difluoroethoxy)-N- ethyl-N-(2-(4-(2- hydro...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1OCC(F)F
Show InChI InChI=1S/C19H26F2N4O3/c1-5-24(10-11-25-22-13(2)17(23-25)19(3,4)27)18(26)14-8-6-7-9-15(14)28-12-16(20)21/h6-9,16,27H,5,10-12H2,1-4H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311076
PNG
(US10155750, Example 2)
Show SMILES CCN(CCn1ncc(n1)C(C)(O)CC)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C19H25N7O2/c1-4-19(3,28)17-14-22-25(23-17)13-12-24(5-2)18(27)15-8-6-7-9-16(15)26-20-10-11-21-26/h6-11,14,28H,4-5,12-13H2,1-3H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311078
PNG
(US10155750, Example 4)
Show SMILES CCN(CCn1ncc(n1)C(C)(C)O)C(=O)c1ccccc1C1CC1
Show InChI InChI=1S/C19H26N4O2/c1-4-22(11-12-23-20-13-17(21-23)19(2,3)25)18(24)16-8-6-5-7-15(16)14-9-10-14/h5-8,13-14,25H,4,9-12H2,1-3H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311081
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)-2H-1,2,3- ...)
Show SMILES CCN(CCn1ncc(n1)C(C)(C)O)C(=O)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C17H21F3N4O3/c1-4-23(9-10-24-21-11-14(22-24)16(2,3)26)15(25)12-7-5-6-8-13(12)27-17(18,19)20/h5-8,11,26H,4,9-10H2,1-3H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311092
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1-n1cccn1
Show InChI InChI=1S/C20H26N6O2/c1-5-24(13-14-26-22-15(2)18(23-26)20(3,4)28)19(27)16-9-6-7-10-17(16)25-12-8-11-21-25/h6-12,28H,5,13-14H2,1-4H3
PDB

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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 cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311112
PNG
(US10155750, Example 50)
Show SMILES CCN(CCn1ccc(n1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C19H24N6O2/c1-4-23(13-14-24-12-9-17(22-24)19(2,3)27)18(26)15-7-5-6-8-16(15)25-20-10-11-21-25/h5-12,27H,4,13-14H2,1-3H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311075
PNG
(US10155750, Example 1)
Show SMILES CCN(CCn1ncc(n1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C18H23N7O2/c1-4-23(11-12-24-21-13-16(22-24)18(2,3)27)17(26)14-7-5-6-8-15(14)25-19-9-10-20-25/h5-10,13,27H,4,11-12H2,1-3H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311089
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C18H23F3N4O3/c1-5-24(10-11-25-22-12(2)15(23-25)17(3,4)27)16(26)13-8-6-7-9-14(13)28-18(19,20)21/h6-9,27H,5,10-11H2,1-4H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311106
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ncccc1-n1nccn1
Show InChI InChI=1S/C18H24N8O2/c1-5-24(11-12-25-22-13(2)16(23-25)18(3,4)28)17(27)15-14(7-6-8-19-15)26-20-9-10-21-26/h6-10,28H,5,11-12H2,1-4H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311107
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ncccc1-c1ccccc1
Show InChI InChI=1S/C22H27N5O2/c1-5-26(14-15-27-24-16(2)20(25-27)22(3,4)29)21(28)19-18(12-9-13-23-19)17-10-7-6-8-11-17/h6-13,29H,5,14-15H2,1-4H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311080
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)-2H-1,2,3- ...)
Show SMILES CCN(CCn1ncc(n1)C(C)(C)O)C(=O)c1ccccc1SC(F)(F)F
Show InChI InChI=1S/C17H21F3N4O2S/c1-4-23(9-10-24-21-11-14(22-24)16(2,3)26)15(25)12-7-5-6-8-13(12)27-17(18,19)20/h5-8,11,26H,4,9-10H2,1-3H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311087
PNG
(2-(2,2- difluoroethoxy)-N- ethyl-N-(2-(4-(2- hydro...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1cccnc1OCC(F)F
Show InChI InChI=1S/C18H25F2N5O3/c1-5-24(9-10-25-22-12(2)15(23-25)18(3,4)27)17(26)13-7-6-8-21-16(13)28-11-14(19)20/h6-8,14,27H,5,9-11H2,1-4H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311090
PNG
(2-ethoxy-N-ethyl-N- (2-(4-(2- hydroxypropan-2-yl)-...)
Show SMILES CCOc1ccccc1C(=O)N(CC)CCn1nc(C)c(n1)C(C)(C)O
Show InChI InChI=1S/C19H28N4O3/c1-6-22(18(24)15-10-8-9-11-16(15)26-7-2)12-13-23-20-14(3)17(21-23)19(4,5)25/h8-11,25H,6-7,12-13H2,1-5H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311097
PNG
(N-ethyl-N-(2-(4-(2- hydroxypropan-2-yl)- 5-methyl-...)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1CC(F)(F)F
Show InChI InChI=1S/C19H25F3N4O2/c1-5-25(10-11-26-23-13(2)16(24-26)18(3,4)28)17(27)15-9-7-6-8-14(15)12-19(20,21)22/h6-9,28H,5,10-12H2,1-4H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311111
PNG
(US10155750, Example 49)
Show SMILES CCN(CCn1cc(cn1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C19H24N6O2/c1-4-23(11-12-24-14-15(13-22-24)19(2,3)27)18(26)16-7-5-6-8-17(16)25-20-9-10-21-25/h5-10,13-14,27H,4,11-12H2,1-3H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311077
PNG
(US10155750, Example 3)
Show SMILES CCN(CCn1ncc(n1)C(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C17H21N7O2/c1-3-22(10-11-23-20-12-15(21-23)13(2)25)17(26)14-6-4-5-7-16(14)24-18-8-9-19-24/h4-9,12-13,25H,3,10-11H2,1-2H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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


(Homo sapiens (Human))
BDBM311084
PNG
(US10155750, Example 21)
Show SMILES CCN(CCn1nc(C)c(n1)C(C)(C)O)C(=O)c1cccnc1OCC(F)(F)F
Show InChI InChI=1S/C18H24F3N5O3/c1-5-25(9-10-26-23-12(2)14(24-26)17(3,4)28)16(27)13-7-6-8-22-15(13)29-11-18(19,20)21/h6-8,28H,5,9-11H2,1-4H3
PDB

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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The cells are seeded at 20,000 cells/well into Becton-Dickinson black 384-well clear bottom sterile plates coated with poly-D-lysine. All reagents we...


US Patent US10155750 (2018)

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