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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/IC50
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
PDB

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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)

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)

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)

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
PDB

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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)

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)

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)

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)

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)

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)

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)

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
PDB

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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)

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)

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
PDB

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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)

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
PDB

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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)

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
PDB

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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)

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)

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
PDB

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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)

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
PDB

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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)

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)

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
PDB

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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)

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
PDB

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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)

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
PDB

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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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)

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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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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
PDB

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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)

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)

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
PDB

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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)

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
PDB

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PC sid
UniChem
US Patent
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)

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
PDB

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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)

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)

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
PDB

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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)

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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PC sid
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US Patent
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)

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
PDB

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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)

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