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Patent code US10011595

Compile Data Set for Download or QSAR

Found 242 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402073
PNG
(N-{2-[(4,6-dimethylpyrimidin-2- yl)(methyl)amino]e...)
Show SMILES CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccccc1-n1ncnn1
Show InChI InChI=1S/C19H24N8O/c1-5-26(11-10-25(4)19-22-14(2)12-15(3)23-19)18(28)16-8-6-7-9-17(16)27-21-13-20-24-27/h6-9,12-13H,5,10-11H2,1-4H3
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n/an/a 8.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402136
PNG
(2-cyclopropyl-N-ethyl-N-(2- ((4-(2-hydroxypropan-2...)
Show SMILES CCN(CCN(C)c1nccc(n1)C(C)(C)O)C(=O)c1ccccc1C1CC1
Show InChI InChI=1S/C22H30N4O2/c1-5-26(20(27)18-9-7-6-8-17(18)16-10-11-16)15-14-25(4)21-23-13-12-19(24-21)22(2,3)28/h6-9,12-13,16,28H,5,10-11,14-15H2,1-4H3
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n/an/a 9.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402062
PNG
(2-(2,2-difluoroethoxy)-N-{2-[(4,6- dimethylpyrimid...)
Show SMILES CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccccc1OCC(F)F
Show InChI InChI=1S/C20H26F2N4O2/c1-5-26(11-10-25(4)20-23-14(2)12-15(3)24-20)19(27)16-8-6-7-9-17(16)28-13-18(21)22/h6-9,12,18H,5,10-11,13H2,1-4H3
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n/an/a 9.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402048
PNG
(N-(2-((4,6-dimethylpyrimidin-2- yl)(methyl)amino)e...)
Show SMILES CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C19H23F3N4O2/c1-5-26(11-10-25(4)18-23-13(2)12-14(3)24-18)17(27)15-8-6-7-9-16(15)28-19(20,21)22/h6-9,12H,5,10-11H2,1-4H3
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n/an/a 9.40n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402138
PNG
(N-ethyl-N-(2-((4-(2- hydroxypropan-2- yl)pyridin-2...)
Show SMILES CCN(CCN(C)c1nccc(n1)C(C)(C)O)C(=O)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C20H25F3N4O3/c1-5-27(17(28)14-8-6-7-9-15(14)30-20(21,22)23)13-12-26(4)18-24-11-10-16(25-18)19(2,3)29/h6-11,29H,5,12-13H2,1-4H3
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n/an/a 10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402124
PNG
(US10011595, H-1)
Show SMILES CCN(CC(NC)c1nccc(n1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H27N7O2/c1-5-27(14-16(22-4)19-23-11-10-18(26-19)21(2,3)30)20(29)15-8-6-7-9-17(15)28-24-12-13-25-28/h6-13,16,22,30H,5,14H2,1-4H3
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n/an/a 11n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402059
PNG
(N-{2-[(4, 6-dimethylpyrimidin-2- yl)(methyl)amino]...)
Show SMILES CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C20H25F3N4O2/c1-5-27(11-10-26(4)19-24-14(2)12-15(3)25-19)18(28)16-8-6-7-9-17(16)29-13-20(21,22)23/h6-9,12H,5,10-11,13H2,1-4H3
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n/an/a 11.2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402117
PNG
(US10011595, G-4)
Show SMILES CCCN(CCN(C)c1cc(ccn1)C#N)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H23N7O/c1-3-12-27(14-13-26(2)20-15-17(16-22)8-9-23-20)21(29)18-6-4-5-7-19(18)28-24-10-11-25-28/h4-11,15H,3,12-14H2,1-2H3
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n/an/a 12.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402121
PNG
(US10011595, G-8)
Show SMILES CC(C)CN(CCN(C)c1cc(ccn1)C#N)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H25N7O/c1-17(2)16-28(13-12-27(3)21-14-18(15-23)8-9-24-21)22(30)19-6-4-5-7-20(19)29-25-10-11-26-29/h4-11,14,17H,12-13,16H2,1-3H3
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n/an/a 12.2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402147
PNG
(US10011595, I-1)
Show SMILES CCN(CCN(C)c1cccc(n1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H28N6O2/c1-5-27(16-15-26(4)20-12-8-11-19(25-20)22(2,3)30)21(29)17-9-6-7-10-18(17)28-23-13-14-24-28/h6-14,30H,5,15-16H2,1-4H3
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n/an/a 12.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402069
PNG
(N-{2-[(4,6-dimethylpyrimidin-2- yl)(methyl)amino]e...)
Show SMILES CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ncccc1-c1ccccc1
Show InChI InChI=1S/C23H27N5O/c1-5-28(15-14-27(4)23-25-17(2)16-18(3)26-23)22(29)21-20(12-9-13-24-21)19-10-7-6-8-11-19/h6-13,16H,5,14-15H2,1-4H3
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n/an/a 12.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402054
PNG
(N-(2-((4,6-dimethylpyrimidin-2- yl)(methyl)amino)e...)
Show SMILES CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccc(F)cc1-n1nccn1
Show InChI InChI=1S/C20H24FN7O/c1-5-27(11-10-26(4)20-24-14(2)12-15(3)25-20)19(29)17-7-6-16(21)13-18(17)28-22-8-9-23-28/h6-9,12-13H,5,10-11H2,1-4H3
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n/an/a 12.6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402066
PNG
(N-{2-[(4,6-dimethylpyrimidin-2- yl)(methyl)amino]e...)
Show SMILES CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1cccnc1-n1cccn1
Show InChI InChI=1S/C20H25N7O/c1-5-26(13-12-25(4)20-23-15(2)14-16(3)24-20)19(28)17-8-6-9-21-18(17)27-11-7-10-22-27/h6-11,14H,5,12-13H2,1-4H3
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n/an/a 12.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402130
PNG
(N-ethyl-N-(2-((4-(2- hydroxypropan-2- yl)pyrimidin...)
Show SMILES CCCc1ccccc1C(=O)N(CC)CCN(C)c1nccc(n1)C(C)(C)O
Show InChI InChI=1S/C22H32N4O2/c1-6-10-17-11-8-9-12-18(17)20(27)26(7-2)16-15-25(5)21-23-14-13-19(24-21)22(3,4)28/h8-9,11-14,28H,6-7,10,15-16H2,1-5H3
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n/an/a 13.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402056
PNG
(N-(2-((4,6-dimethylpyrimidin-2- yl)(methyl)amino)e...)
Show SMILES CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccccc1-n1cccn1
Show InChI InChI=1S/C21H26N6O/c1-5-26(14-13-25(4)21-23-16(2)15-17(3)24-21)20(28)18-9-6-7-10-19(18)27-12-8-11-22-27/h6-12,15H,5,13-14H2,1-4H3
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n/an/a 13.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402079
PNG
(N-(2-((4-cyanopyridin-2-yl)(methyl)amino)ethyl)-N-...)
Show SMILES CCN(CCN(C)c1cc(ccn1)C#N)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H21N7O/c1-3-26(13-12-25(2)19-14-16(15-21)8-9-22-19)20(28)17-6-4-5-7-18(17)27-23-10-11-24-27/h4-11,14H,3,12-13H2,1-2H3
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n/an/a 14.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402055
PNG
(N-(2-((4,6-dimethylpyrimidin-2- yl)(methyl)amino)e...)
Show SMILES CCOc1ccccc1C(=O)N(CC)CCN(C)c1nc(C)cc(C)n1
Show InChI InChI=1S/C20H28N4O2/c1-6-24(19(25)17-10-8-9-11-18(17)26-7-2)13-12-23(5)20-21-15(3)14-16(4)22-20/h8-11,14H,6-7,12-13H2,1-5H3
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n/an/a 16n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402104
PNG
(N-{2-[(4-cyanopyridin-2- yl)(methyl)amino]ethyl}-N...)
Show SMILES CCN(CCN(C)c1cc(ccn1)C#N)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C21H23N7O/c1-4-27(12-11-26(3)20-14-17(15-22)7-8-23-20)21(29)18-13-16(2)5-6-19(18)28-24-9-10-25-28/h5-10,13-14H,4,11-12H2,1-3H3
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n/an/a 16.2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402137
PNG
(2-(2,2-difluorocyclopropyl)- N-ethyl-N-(2-((4-(2- ...)
Show SMILES CCN(CCN(C)c1nccc(n1)C(C)(C)O)C(=O)c1ccccc1C1CC1(F)F
Show InChI InChI=1S/C22H28F2N4O2/c1-5-28(13-12-27(4)20-25-11-10-18(26-20)21(2,3)30)19(29)16-9-7-6-8-15(16)17-14-22(17,23)24/h6-11,17,30H,5,12-14H2,1-4H3
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n/an/a 16.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402140
PNG
(N-ethyl-N-(2-((4-(2- hydroxypropan-2- yl)pyrimidin...)
Show SMILES CCN(CCN(C)c1nccc(n1)C(C)(C)O)C(=O)c1ccccc1-n1ncnn1
Show InChI InChI=1S/C20H26N8O2/c1-5-27(13-12-26(4)19-21-11-10-17(24-19)20(2,3)30)18(29)15-8-6-7-9-16(15)28-23-14-22-25-28/h6-11,14,30H,5,12-13H2,1-4H3
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n/an/a 17n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402133
PNG
(2-(2,2-difluoroethoxy)-N- ethyl-N-(2-((4-(2- hydro...)
Show SMILES CCN(CCN(C)c1nccc(n1)C(C)(C)O)C(=O)c1ccccc1OCC(F)F
Show InChI InChI=1S/C21H28F2N4O3/c1-5-27(19(28)15-8-6-7-9-16(15)30-14-18(22)23)13-12-26(4)20-24-11-10-17(25-20)21(2,3)29/h6-11,18,29H,5,12-14H2,1-4H3
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n/an/a 17.7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402132
PNG
(N-ethyl-N-(2-((4-(2- hydroxypropan-2- yl)pyrimidin...)
Show SMILES CCN(CCN(C)c1nccc(n1)C(C)(C)O)C(=O)c1ccccc1CC(F)(F)F
Show InChI InChI=1S/C21H27F3N4O2/c1-5-28(18(29)16-9-7-6-8-15(16)14-21(22,23)24)13-12-27(4)19-25-11-10-17(26-19)20(2,3)30/h6-11,30H,5,12-14H2,1-4H3
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n/an/a 18n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402084
PNG
(N-(2-{[4-chloro-6- (dimethylamino)pyrimidin- 2-yl]...)
Show SMILES CCN(CCN(C)c1nc(Cl)cc(n1)N(C)C)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H25ClN8O/c1-5-28(13-12-27(4)20-24-17(21)14-18(25-20)26(2)3)19(30)15-8-6-7-9-16(15)29-22-10-11-23-29/h6-11,14H,5,12-13H2,1-4H3
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n/an/a 18.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402072
PNG
(N-{2-[(4,6-dimethylpyrimidin-2- yl)(methyl)amino]e...)
Show SMILES CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccccc1N1CCCC1
Show InChI InChI=1S/C22H31N5O/c1-5-26(15-14-25(4)22-23-17(2)16-18(3)24-22)21(28)19-10-6-7-11-20(19)27-12-8-9-13-27/h6-7,10-11,16H,5,8-9,12-15H2,1-4H3
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n/an/a 18.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402049
PNG
(2-(difluoromethoxy)-N-(2-((4,6- dimethylpyrimidin-...)
Show SMILES CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccccc1OC(F)F
Show InChI InChI=1S/C19H24F2N4O2/c1-5-25(11-10-24(4)19-22-13(2)12-14(3)23-19)17(26)15-8-6-7-9-16(15)27-18(20)21/h6-9,12,18H,5,10-11H2,1-4H3
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n/an/a 18.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402070
PNG
(N-{2-[(4,6-dimethylpyrimidin-2- yl)(methyl)amino]e...)
Show SMILES CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1nccnc1-n1cccn1
Show InChI InChI=1S/C19H24N8O/c1-5-26(12-11-25(4)19-23-14(2)13-15(3)24-19)18(28)16-17(21-9-8-20-16)27-10-6-7-22-27/h6-10,13H,5,11-12H2,1-4H3
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n/an/a 18.7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402071
PNG
(2-(2,2-difluorocyclopropyl)-N-{2- [(4,6-dimethylpy...)
Show SMILES CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccccc1C1CC1(F)F
Show InChI InChI=1S/C21H26F2N4O/c1-5-27(11-10-26(4)20-24-14(2)12-15(3)25-20)19(28)17-9-7-6-8-16(17)18-13-21(18,22)23/h6-9,12,18H,5,10-11,13H2,1-4H3
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n/an/a 18.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402110
PNG
(2-(1-cyanocyclopropyl)-N-{2- [(4-cyanopyridin-2- y...)
Show SMILES CCN(CCN(C)c1cc(ccn1)C#N)C(=O)c1ccccc1C1(CC1)C#N
Show InChI InChI=1S/C22H23N5O/c1-3-27(13-12-26(2)20-14-17(15-23)8-11-25-20)21(28)18-6-4-5-7-19(18)22(16-24)9-10-22/h4-8,11,14H,3,9-10,12-13H2,1-2H3
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n/an/a 18.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402074
PNG
(N-{2-[(4,6-dimethylpyrimidin-2- yl)(methyl)amino]e...)
Show SMILES CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccccc1-c1ncccn1
Show InChI InChI=1S/C22H26N6O/c1-5-28(14-13-27(4)22-25-16(2)15-17(3)26-22)21(29)19-10-7-6-9-18(19)20-23-11-8-12-24-20/h6-12,15H,5,13-14H2,1-4H3
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n/an/a 19.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402118
PNG
(US10011595, G-5)
Show SMILES CCCCN(CCN(C)c1cc(ccn1)C#N)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H25N7O/c1-3-4-13-28(15-14-27(2)21-16-18(17-23)9-10-24-21)22(30)19-7-5-6-8-20(19)29-25-11-12-26-29/h5-12,16H,3-4,13-15H2,1-2H3
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n/an/a 19.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402053
PNG
(N-(2-((4,6-dimethylpyrimidin-2- yl)(methyl)amino)e...)
Show SMILES CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1cccnc1OCC(F)(F)F
Show InChI InChI=1S/C19H24F3N5O2/c1-5-27(10-9-26(4)18-24-13(2)11-14(3)25-18)17(28)15-7-6-8-23-16(15)29-12-19(20,21)22/h6-8,11H,5,9-10,12H2,1-4H3
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n/an/a 19.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402058
PNG
(N-{2-[(4,6-dimethylpyrimidin-2- yl)(methyl)amino]e...)
Show SMILES CCCc1ccccc1C(=O)N(CC)CCN(C)c1nc(C)cc(C)n1
Show InChI InChI=1S/C21H30N4O/c1-6-10-18-11-8-9-12-19(18)20(26)25(7-2)14-13-24(5)21-22-16(3)15-17(4)23-21/h8-9,11-12,15H,6-7,10,13-14H2,1-5H3
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n/an/a 19.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402139
PNG
(2-cyclopropyl-N-ethyl-N-(2- ((4-(2-hydroxypropan-2...)
Show SMILES CCN(CCN(C)c1nccc(n1)C(C)(C)O)C(=O)c1ccc(OC)nc1C1CC1
Show InChI InChI=1S/C22H31N5O3/c1-6-27(14-13-26(4)21-23-12-11-17(24-21)22(2,3)29)20(28)16-9-10-18(30-5)25-19(16)15-7-8-15/h9-12,15,29H,6-8,13-14H2,1-5H3
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n/an/a 20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402068
PNG
(2-cyclobutyl-N-{2-[(4,6- dimethylpyrimidin-2- yl)(...)
Show SMILES CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccccc1C1CCC1
Show InChI InChI=1S/C22H30N4O/c1-5-26(14-13-25(4)22-23-16(2)15-17(3)24-22)21(27)20-12-7-6-11-19(20)18-9-8-10-18/h6-7,11-12,15,18H,5,8-10,13-14H2,1-4H3
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n/an/a 20.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402135
PNG
(2-(2,2-difluoroethyl)-N-ethyl- N-(2-((4-(2-hydroxy...)
Show SMILES CCN(CCN(C)c1nccc(n1)C(C)(C)O)C(=O)c1ccccc1CC(F)F
Show InChI InChI=1S/C21H28F2N4O2/c1-5-27(19(28)16-9-7-6-8-15(16)14-18(22)23)13-12-26(4)20-24-11-10-17(25-20)21(2,3)29/h6-11,18,29H,5,12-14H2,1-4H3
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n/an/a 20.6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402128
PNG
(2-(2,2-difluoroethoxy)-N- ethyl-N-(2-((4-(2- hydro...)
Show SMILES CCN(CCN(C)c1nccc(n1)C(C)(C)O)C(=O)c1cccnc1OCC(F)(F)F
Show InChI InChI=1S/C20H26F3N5O3/c1-5-28(12-11-27(4)18-25-10-8-15(26-18)19(2,3)30)17(29)14-7-6-9-24-16(14)31-13-20(21,22)23/h6-10,30H,5,11-13H2,1-4H3
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n/an/a 21.7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402075
PNG
(N-{2-[(4,6-dimethylpyrimidin-2- yl)(methyl)amino]e...)
Show SMILES CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1nccnc1-c1ccccn1
Show InChI InChI=1S/C21H25N7O/c1-5-28(13-12-27(4)21-25-15(2)14-16(3)26-21)20(29)19-18(23-10-11-24-19)17-8-6-7-9-22-17/h6-11,14H,5,12-13H2,1-4H3
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n/an/a 23n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402095
PNG
(N-{2-[(4-cyanopyridin-2- yl)(methyl)amino]ethyl}-N...)
Show SMILES CCN(CCN(C)c1cc(ccn1)C#N)C(=O)c1ccccc1-c1cnccn1
Show InChI InChI=1S/C22H22N6O/c1-3-28(13-12-27(2)21-14-17(15-23)8-9-26-21)22(29)19-7-5-4-6-18(19)20-16-24-10-11-25-20/h4-11,14,16H,3,12-13H2,1-2H3
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n/an/a 23n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402142
PNG
(N-ethyl-N-(2-((4-(2- hydroxypropan-2- yl)pyrimidin...)
Show SMILES CCN(CCN(C)c1nccc(n1)C(C)(C)O)C(=O)c1ncccc1-c1ccccc1
Show InChI InChI=1S/C24H29N5O2/c1-5-29(17-16-28(4)23-26-15-13-20(27-23)24(2,3)31)22(30)21-19(12-9-14-25-21)18-10-7-6-8-11-18/h6-15,31H,5,16-17H2,1-4H3
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n/an/a 23n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402111
PNG
(N-{2-[(4-cyanopyridin-2- yl)(methyl)amino]ethyl}-N...)
Show SMILES CCN(CCN(C)c1cc(ccn1)C#N)C(=O)c1ccccc1-c1nc(C)no1
Show InChI InChI=1S/C21H22N6O2/c1-4-27(12-11-26(3)19-13-16(14-22)9-10-23-19)21(28)18-8-6-5-7-17(18)20-24-15(2)25-29-20/h5-10,13H,4,11-12H2,1-3H3
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n/an/a 24n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402127
PNG
(2-(2,2-difluoroethoxy)-N- ethyl-N-(2-((4-(2- hydro...)
Show SMILES CCN(CCN(C)c1nccc(n1)C(C)(C)O)C(=O)c1cccnc1OCC(F)F
Show InChI InChI=1S/C20H27F2N5O3/c1-5-27(18(28)14-7-6-9-23-17(14)30-13-16(21)22)12-11-26(4)19-24-10-8-15(25-19)20(2,3)29/h6-10,16,29H,5,11-13H2,1-4H3
PDB

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n/an/a 24.2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402114
PNG
(N-{2-[(4-cyanopyridin-2- yl)(methyl)amino]ethyl}-N...)
Show SMILES CCN(CCN(C)c1cc(ccn1)C#N)C(=O)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1S/C20H20FN7O/c1-3-27(11-10-26(2)19-12-15(14-22)6-7-23-19)20(29)17-13-16(21)4-5-18(17)28-24-8-9-25-28/h4-9,12-13H,3,10-11H2,1-2H3
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n/an/a 24.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402045
PNG
(US10011595, B-1)
Show SMILES CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1cccc(c1)C1CC1
Show InChI InChI=1S/C21H28N4O/c1-5-25(12-11-24(4)21-22-15(2)13-16(3)23-21)20(26)19-8-6-7-18(14-19)17-9-10-17/h6-8,13-14,17H,5,9-12H2,1-4H3
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n/an/a 26.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402050
PNG
(N-(2-((4,6-dimethylpyrimidin-2- yl)(methyl)amino)e...)
Show SMILES CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1cccnc1-c1ccccc1
Show InChI InChI=1S/C23H27N5O/c1-5-28(15-14-27(4)23-25-17(2)16-18(3)26-23)22(29)20-12-9-13-24-21(20)19-10-7-6-8-11-19/h6-13,16H,5,14-15H2,1-4H3
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n/an/a 26.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402106
PNG
(N-{2-[(4-cyanopyridin-2- yl)(methyl)amino]ethyl}-N...)
Show SMILES CCN(CCN(C)c1cc(ccn1)C#N)C(=O)c1ccccc1N1CCCC1
Show InChI InChI=1S/C22H27N5O/c1-3-26(15-14-25(2)21-16-18(17-23)10-11-24-21)22(28)19-8-4-5-9-20(19)27-12-6-7-13-27/h4-5,8-11,16H,3,6-7,12-15H2,1-2H3
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n/an/a 31.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402131
PNG
(N-ethyl-N-(2-((4-(2- hydroxypropan-2- yl)pyrimidin...)
Show SMILES CCN(CCN(C)c1nccc(n1)C(C)(C)O)C(=O)c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C21H27F3N4O3/c1-5-28(13-12-27(4)19-25-11-10-17(26-19)20(2,3)30)18(29)15-8-6-7-9-16(15)31-14-21(22,23)24/h6-11,30H,5,12-14H2,1-4H3
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n/an/a 32n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402061
PNG
(2-cyclopropyl-N-{2-[(4,6- dimethylpyrimidin-2- yl)...)
Show SMILES CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccc(OC)nc1C1CC1
Show InChI InChI=1S/C21H29N5O2/c1-6-26(12-11-25(4)21-22-14(2)13-15(3)23-21)20(27)17-9-10-18(28-5)24-19(17)16-7-8-16/h9-10,13,16H,6-8,11-12H2,1-5H3
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n/an/a 32.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402064
PNG
(N-{2-[(4,6-dimethylpyrimidin-2- yl)(methyl)amino]e...)
Show SMILES CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ncccc1-n1nccn1
Show InChI InChI=1S/C19H24N8O/c1-5-26(12-11-25(4)19-23-14(2)13-15(3)24-19)18(28)17-16(7-6-8-20-17)27-21-9-10-22-27/h6-10,13H,5,11-12H2,1-4H3
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n/an/a 32.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402099
PNG
(N-{2-[(4-cyanopyridin-2- yl)(methyl)amino]ethyl}-N...)
Show SMILES CCN(CCN(C)c1cc(ccn1)C#N)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C20H20FN7O/c1-3-27(12-11-26(2)18-13-15(14-22)7-8-23-18)20(29)19-16(21)5-4-6-17(19)28-24-9-10-25-28/h4-10,13H,3,11-12H2,1-2H3
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n/an/a 33.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM402120
PNG
(US10011595, G-7)
Show SMILES CN(CCN(CC1CC1)C(=O)c1ccccc1-n1nccn1)c1cc(ccn1)C#N
Show InChI InChI=1S/C22H23N7O/c1-27(21-14-18(15-23)8-9-24-21)12-13-28(16-17-6-7-17)22(30)19-4-2-3-5-20(19)29-25-10-11-26-29/h2-5,8-11,14,17H,6-7,12-13,16H2,1H3
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n/an/a 35.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US10011595 (2018)


BindingDB Entry DOI: 10.7270/Q20R9RS1
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%