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Patent code US9987255

Compile Data Set for Download or QSAR
Found 48 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))
BDBM397110
PNG
(2-{2-[5-{[2-(2,2- difluorocyclopropyl)phenyl] carb...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1C1CC1(F)F
Show InChI InChI=1S/C23H27F2N3O3/c1-13-19(22(2,3)30)26-21(31-13)28-11-14-9-27(10-15(14)12-28)20(29)17-7-5-4-6-16(17)18-8-23(18,24)25/h4-7,14-15,18,30H,8-12H2,1-3H3
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n/an/a 22n/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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397098
PNG
(2-(2-{5-[(2- cyclobutylphenyl)carbonyl] hexahydrop...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1C1CCC1
Show InChI InChI=1S/C24H31N3O3/c1-15-21(24(2,3)29)25-23(30-15)27-13-17-11-26(12-18(17)14-27)22(28)20-10-5-4-9-19(20)16-7-6-8-16/h4-5,9-10,16-18,29H,6-8,11-14H2,1-3H3
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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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397085
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)(5-(4-(2-hydroxyp...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H26N6O3/c1-14-19(22(2,3)30)25-21(31-14)27-12-15-10-26(11-16(15)13-27)20(29)17-6-4-5-7-18(17)28-23-8-9-24-28/h4-9,15-16,30H,10-13H2,1-3H3
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n/an/a 27n/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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397102
PNG
(2-{2-[5-{[4-fluoro-2-(2H-1,2,3- triazol-2-yl) phen...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccc(F)cc1-n1nccn1
Show InChI InChI=1S/C22H25FN6O3/c1-13-19(22(2,3)31)26-21(32-13)28-11-14-9-27(10-15(14)12-28)20(30)17-5-4-16(23)8-18(17)29-24-6-7-25-29/h4-8,14-15,31H,9-12H2,1-3H3
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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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397092
PNG
(2-(5-methyl-2-{5-[(2- propylphenyl)carbonyl] hexah...)
Show SMILES CCCc1ccccc1C(=O)N1CC2CN(CC2C1)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C23H31N3O3/c1-5-8-16-9-6-7-10-19(16)21(27)25-11-17-13-26(14-18(17)12-25)22-24-20(15(2)29-22)23(3,4)28/h6-7,9-10,17-18,28H,5,8,11-14H2,1-4H3
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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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397104
PNG
(2-{5-methyl-2-[5-{[2-(1H- pyrazol-1-yl)pyridin-3-y...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1cccnc1-n1cccn1
Show InChI InChI=1S/C22H26N6O3/c1-14-18(22(2,3)30)25-21(31-14)27-12-15-10-26(11-16(15)13-27)20(29)17-6-4-7-23-19(17)28-9-5-8-24-28/h4-9,15-16,30H,10-13H2,1-3H3
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n/an/a 35n/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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397096
PNG
(2-{5-methyl-2-[5-{[2-(2,2,2- trifluoroethoxy)pyrid...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1cccnc1CC(F)(F)F
Show InChI InChI=1S/C21H25F3N4O3/c1-12-17(20(2,3)30)26-19(31-12)28-10-13-8-27(9-14(13)11-28)18(29)15-5-4-6-25-16(15)7-21(22,23)24/h4-6,13-14,30H,7-11H2,1-3H3
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n/an/a 46n/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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397099
PNG
(2-(5-methyl-2-{5-[(2-pyrrolidin-1- ylphenyl)carbon...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1N1CCCC1
Show InChI InChI=1S/C24H32N4O3/c1-16-21(24(2,3)30)25-23(31-16)28-14-17-12-27(13-18(17)15-28)22(29)19-8-4-5-9-20(19)26-10-6-7-11-26/h4-5,8-9,17-18,30H,6-7,10-15H2,1-3H3
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n/an/a 49n/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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397105
PNG
(2-(5-methyl-2-{5-[(2- phenylpyridin-3-yl) carbonyl...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1cccnc1-c1ccccc1
Show InChI InChI=1S/C25H28N4O3/c1-16-22(25(2,3)31)27-24(32-16)29-14-18-12-28(13-19(18)15-29)23(30)20-10-7-11-26-21(20)17-8-5-4-6-9-17/h4-11,18-19,31H,12-15H2,1-3H3
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n/an/a 60n/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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397101
PNG
(2-{5-methyl-2-[5-{[2-(2H- tetrazol-2-yl) phenyl]ca...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1-n1ncnn1
Show InChI InChI=1S/C21H25N7O3/c1-13-18(21(2,3)30)24-20(31-13)27-10-14-8-26(9-15(14)11-27)19(29)16-6-4-5-7-17(16)28-23-12-22-25-28/h4-7,12,14-15,30H,8-11H2,1-3H3
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n/an/a 65n/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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397100
PNG
(2-{5-methyl-2-[5-{(2-(1H- pyrazol-1- yl)phenyl]car...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1-n1cccn1
Show InChI InChI=1S/C23H27N5O3/c1-15-20(23(2,3)30)25-22(31-15)27-13-16-11-26(12-17(16)14-27)21(29)18-7-4-5-8-19(18)28-10-6-9-24-28/h4-10,16-17,30H,11-14H2,1-3H3
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n/an/a 72n/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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397103
PNG
(2-{5-methyl-2-[5-{(3-(2H-1,2,3- triazol-2-yl)pyrid...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ncccc1-n1nccn1
Show InChI InChI=1S/C21H25N7O3/c1-13-18(21(2,3)30)25-20(31-13)27-11-14-9-26(10-15(14)12-27)19(29)17-16(5-4-6-22-17)28-23-7-8-24-28/h4-8,14-15,30H,9-12H2,1-3H3
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n/an/a 84n/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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397097
PNG
(2-(2-{5-[(2- cyclopropylphenyl)carbonyl] hexahydro...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1C1CC1
Show InChI InChI=1S/C23H29N3O3/c1-14-20(23(2,3)28)24-22(29-14)26-12-16-10-25(11-17(16)13-26)21(27)19-7-5-4-6-18(19)15-8-9-15/h4-7,15-17,28H,8-13H2,1-3H3
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n/an/a 87n/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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397108
PNG
(2-{2-[5-{[2- (difluoromethoxy)phenyl]carbonyl} hex...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1OC(F)F
Show InChI InChI=1S/C21H25F2N3O4/c1-12-17(21(2,3)28)24-20(29-12)26-10-13-8-25(9-14(13)11-26)18(27)15-6-4-5-7-16(15)30-19(22)23/h4-7,13-14,19,28H,8-11H2,1-3H3
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n/an/a 101n/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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397089
PNG
(2-{5-methyl-2-[5-{[2-(2,2,2- trifluoroethoxy)pyrid...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1cccnc1OCC(F)(F)F
Show InChI InChI=1S/C21H25F3N4O4/c1-12-16(20(2,3)30)26-19(32-12)28-9-13-7-27(8-14(13)10-28)18(29)15-5-4-6-25-17(15)31-11-21(22,23)24/h4-6,13-14,30H,7-11H2,1-3H3
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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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397107
PNG
(2-{5-methyl-2-[5-{[3-(1H- pyrazol-1-yl)pyrazin-2-y...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1nccnc1-n1cccn1
Show InChI InChI=1S/C21H25N7O3/c1-13-17(21(2,3)30)25-20(31-13)27-11-14-9-26(10-15(14)12-27)19(29)16-18(23-7-6-22-16)28-8-4-5-24-28/h4-8,14-15,30H,9-12H2,1-3H3
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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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397094
PNG
(2-{5-methyl-2-[5-{[2-(1- methylethoxy)pyriddin-3- ...)
Show SMILES CC(C)Oc1ncccc1C(=O)N1CC2CN(CC2C1)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C22H30N4O4/c1-13(2)29-19-17(7-6-8-23-19)20(27)25-9-15-11-26(12-16(15)10-25)21-24-18(14(3)30-21)22(4,5)28/h6-8,13,15-16,28H,9-12H2,1-5H3
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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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397093
PNG
(2-{5-methyl-2-[5-{[2-(2,2,2- trifluoroethoxy)pheny...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C22H26F3N3O4/c1-13-18(21(2,3)30)26-20(32-13)28-10-14-8-27(9-15(14)11-28)19(29)16-6-4-5-7-17(16)31-12-22(23,24)25/h4-7,14-15,30H,8-12H2,1-3H3
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n/an/a 165n/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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397109
PNG
(2-{5-methyl-2-[5-{(2-(2,2,2- trifluoroethyl)phenyl...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1CC(F)(F)F
Show InChI InChI=1S/C22H26F3N3O3/c1-13-18(21(2,3)30)26-20(31-13)28-11-15-9-27(10-16(15)12-28)19(29)17-7-5-4-6-14(17)8-22(23,24)25/h4-7,15-16,30H,8-12H2,1-3H3
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n/an/a 230n/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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397106
PNG
(2-(5-methyl-2-{5-[(3-pyrrolidin-1- ylpyrazin-2-yl)...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1nccnc1N1CCCC1
Show InChI InChI=1S/C22H30N6O3/c1-14-18(22(2,3)30)25-21(31-14)28-12-15-10-27(11-16(15)13-28)20(29)17-19(24-7-6-23-17)26-8-4-5-9-26/h6-7,15-16,30H,4-5,8-13H2,1-3H3
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n/an/a 252n/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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397095
PNG
(2-{2-[5-{[2-(2,2- difluoroethoxy)pyridin-3-yl] car...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1cccnc1OCC(F)F
Show InChI InChI=1S/C21H26F2N4O4/c1-12-17(21(2,3)29)25-20(31-12)27-9-13-7-26(8-14(13)10-27)19(28)15-5-4-6-24-18(15)30-11-16(22)23/h4-6,13-14,16,29H,7-11H2,1-3H3
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n/an/a 312n/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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397086
PNG
(2-(2-{5-[(2-Ethoxypyridin-3-yl)carbonyl]hexahydrop...)
Show SMILES CCOc1ncccc1C(=O)N1CC2CN(CC2C1)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C21H28N4O4/c1-5-28-18-16(7-6-8-22-18)19(26)24-9-14-11-25(12-15(14)10-24)20-23-17(13(2)29-20)21(3,4)27/h6-8,14-15,27H,5,9-12H2,1-4H3
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n/an/a 545n/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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397091
PNG
(2-(5-methyl-2-{5-[(3- phenylpyridin-2-yl) carbonyl...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ncccc1-c1ccccc1
Show InChI InChI=1S/C25H28N4O3/c1-16-22(25(2,3)31)27-24(32-16)29-14-18-12-28(13-19(18)15-29)23(30)21-20(10-7-11-26-21)17-8-5-4-6-9-17/h4-11,18-19,31H,12-15H2,1-3H3
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n/an/a 583n/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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397090
PNG
(2-{5-methyl-2-[5-{[2- (trifluoromethoxy)phenyl] ca...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C21H24F3N3O4/c1-12-17(20(2,3)29)25-19(30-12)27-10-13-8-26(9-14(13)11-27)18(28)15-6-4-5-7-16(15)31-21(22,23)24/h4-7,13-14,29H,8-11H2,1-3H3
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n/an/a 604n/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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397102
PNG
(2-{2-[5-{[4-fluoro-2-(2H-1,2,3- triazol-2-yl) phen...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccc(F)cc1-n1nccn1
Show InChI InChI=1S/C22H25FN6O3/c1-13-19(22(2,3)31)26-21(32-13)28-11-14-9-27(10-15(14)12-28)20(30)17-5-4-16(23)8-18(17)29-24-6-7-25-29/h4-8,14-15,31H,9-12H2,1-3H3
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n/an/a 3.07E+3n/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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397098
PNG
(2-(2-{5-[(2- cyclobutylphenyl)carbonyl] hexahydrop...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1C1CCC1
Show InChI InChI=1S/C24H31N3O3/c1-15-21(24(2,3)29)25-23(30-15)27-13-17-11-26(12-18(17)14-27)22(28)20-10-5-4-9-19(20)16-7-6-8-16/h4-5,9-10,16-18,29H,6-8,11-14H2,1-3H3
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n/an/a 5.30E+3n/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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397085
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)(5-(4-(2-hydroxyp...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H26N6O3/c1-14-19(22(2,3)30)25-21(31-14)27-12-15-10-26(11-16(15)13-27)20(29)17-6-4-5-7-18(17)28-23-8-9-24-28/h4-9,15-16,30H,10-13H2,1-3H3
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n/an/a 6.88E+3n/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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397104
PNG
(2-{5-methyl-2-[5-{[2-(1H- pyrazol-1-yl)pyridin-3-y...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1cccnc1-n1cccn1
Show InChI InChI=1S/C22H26N6O3/c1-14-18(22(2,3)30)25-21(31-14)27-12-15-10-26(11-16(15)13-27)20(29)17-6-4-7-23-19(17)28-9-5-8-24-28/h4-9,15-16,30H,10-13H2,1-3H3
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n/an/a 9.85E+3n/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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397096
PNG
(2-{5-methyl-2-[5-{[2-(2,2,2- trifluoroethoxy)pyrid...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1cccnc1CC(F)(F)F
Show InChI InChI=1S/C21H25F3N4O3/c1-12-17(20(2,3)30)26-19(31-12)28-10-13-8-27(9-14(13)11-28)18(29)15-5-4-6-25-16(15)7-21(22,23)24/h4-6,13-14,30H,7-11H2,1-3H3
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n/an/a 1.00E+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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397095
PNG
(2-{2-[5-{[2-(2,2- difluoroethoxy)pyridin-3-yl] car...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1cccnc1OCC(F)F
Show InChI InChI=1S/C21H26F2N4O4/c1-12-17(21(2,3)29)25-20(31-12)27-9-13-7-26(8-14(13)10-27)19(28)15-5-4-6-24-18(15)30-11-16(22)23/h4-6,13-14,16,29H,7-11H2,1-3H3
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n/an/a 1.00E+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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397090
PNG
(2-{5-methyl-2-[5-{[2- (trifluoromethoxy)phenyl] ca...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C21H24F3N3O4/c1-12-17(20(2,3)29)25-19(30-12)27-10-13-8-26(9-14(13)11-27)18(28)15-6-4-5-7-16(15)31-21(22,23)24/h4-7,13-14,29H,8-11H2,1-3H3
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n/an/a 1.00E+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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397092
PNG
(2-(5-methyl-2-{5-[(2- propylphenyl)carbonyl] hexah...)
Show SMILES CCCc1ccccc1C(=O)N1CC2CN(CC2C1)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C23H31N3O3/c1-5-8-16-9-6-7-10-19(16)21(27)25-11-17-13-26(14-18(17)12-25)22-24-20(15(2)29-22)23(3,4)28/h6-7,9-10,17-18,28H,5,8,11-14H2,1-4H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397094
PNG
(2-{5-methyl-2-[5-{[2-(1- methylethoxy)pyriddin-3- ...)
Show SMILES CC(C)Oc1ncccc1C(=O)N1CC2CN(CC2C1)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C22H30N4O4/c1-13(2)29-19-17(7-6-8-23-19)20(27)25-9-15-11-26(12-16(15)10-25)21-24-18(14(3)30-21)22(4,5)28/h6-8,13,15-16,28H,9-12H2,1-5H3
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n/an/a 1.00E+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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397110
PNG
(2-{2-[5-{[2-(2,2- difluorocyclopropyl)phenyl] carb...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1C1CC1(F)F
Show InChI InChI=1S/C23H27F2N3O3/c1-13-19(22(2,3)30)26-21(31-13)28-11-14-9-27(10-15(14)12-28)20(29)17-7-5-4-6-16(17)18-8-23(18,24)25/h4-7,14-15,18,30H,8-12H2,1-3H3
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n/an/a 1.00E+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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397105
PNG
(2-(5-methyl-2-{5-[(2- phenylpyridin-3-yl) carbonyl...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1cccnc1-c1ccccc1
Show InChI InChI=1S/C25H28N4O3/c1-16-22(25(2,3)31)27-24(32-16)29-14-18-12-28(13-19(18)15-29)23(30)20-10-7-11-26-21(20)17-8-5-4-6-9-17/h4-11,18-19,31H,12-15H2,1-3H3
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n/an/a 1.00E+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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397108
PNG
(2-{2-[5-{[2- (difluoromethoxy)phenyl]carbonyl} hex...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1OC(F)F
Show InChI InChI=1S/C21H25F2N3O4/c1-12-17(21(2,3)28)24-20(29-12)26-10-13-8-25(9-14(13)11-26)18(27)15-6-4-5-7-16(15)30-19(22)23/h4-7,13-14,19,28H,8-11H2,1-3H3
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n/an/a 1.00E+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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397089
PNG
(2-{5-methyl-2-[5-{[2-(2,2,2- trifluoroethoxy)pyrid...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1cccnc1OCC(F)(F)F
Show InChI InChI=1S/C21H25F3N4O4/c1-12-16(20(2,3)30)26-19(32-12)28-9-13-7-27(8-14(13)10-28)18(29)15-5-4-6-25-17(15)31-11-21(22,23)24/h4-6,13-14,30H,7-11H2,1-3H3
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n/an/a 1.00E+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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397106
PNG
(2-(5-methyl-2-{5-[(3-pyrrolidin-1- ylpyrazin-2-yl)...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1nccnc1N1CCCC1
Show InChI InChI=1S/C22H30N6O3/c1-14-18(22(2,3)30)25-21(31-14)28-12-15-10-27(11-16(15)13-28)20(29)17-19(24-7-6-23-17)26-8-4-5-9-26/h6-7,15-16,30H,4-5,8-13H2,1-3H3
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
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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397109
PNG
(2-{5-methyl-2-[5-{(2-(2,2,2- trifluoroethyl)phenyl...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1CC(F)(F)F
Show InChI InChI=1S/C22H26F3N3O3/c1-13-18(21(2,3)30)26-20(31-13)28-11-15-9-27(10-16(15)12-28)19(29)17-7-5-4-6-14(17)8-22(23,24)25/h4-7,15-16,30H,8-12H2,1-3H3
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
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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397107
PNG
(2-{5-methyl-2-[5-{[3-(1H- pyrazol-1-yl)pyrazin-2-y...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1nccnc1-n1cccn1
Show InChI InChI=1S/C21H25N7O3/c1-13-17(21(2,3)30)25-20(31-13)27-11-14-9-26(10-15(14)12-27)19(29)16-18(23-7-6-22-16)28-8-4-5-24-28/h4-8,14-15,30H,9-12H2,1-3H3
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n/an/a 1.00E+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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397097
PNG
(2-(2-{5-[(2- cyclopropylphenyl)carbonyl] hexahydro...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1C1CC1
Show InChI InChI=1S/C23H29N3O3/c1-14-20(23(2,3)28)24-22(29-14)26-12-16-10-25(11-17(16)13-26)21(27)19-7-5-4-6-18(19)15-8-9-15/h4-7,15-17,28H,8-13H2,1-3H3
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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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397093
PNG
(2-{5-methyl-2-[5-{[2-(2,2,2- trifluoroethoxy)pheny...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C22H26F3N3O4/c1-13-18(21(2,3)30)26-20(32-13)28-10-14-8-27(9-15(14)11-28)19(29)16-6-4-5-7-17(16)31-12-22(23,24)25/h4-7,14-15,30H,8-12H2,1-3H3
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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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397099
PNG
(2-(5-methyl-2-{5-[(2-pyrrolidin-1- ylphenyl)carbon...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1N1CCCC1
Show InChI InChI=1S/C24H32N4O3/c1-16-21(24(2,3)30)25-23(31-16)28-14-17-12-27(13-18(17)15-28)22(29)19-8-4-5-9-20(19)26-10-6-7-11-26/h4-5,8-9,17-18,30H,6-7,10-15H2,1-3H3
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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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397103
PNG
(2-{5-methyl-2-[5-{(3-(2H-1,2,3- triazol-2-yl)pyrid...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ncccc1-n1nccn1
Show InChI InChI=1S/C21H25N7O3/c1-13-18(21(2,3)30)25-20(31-13)27-11-14-9-26(10-15(14)12-27)19(29)17-16(5-4-6-22-17)28-23-7-8-24-28/h4-8,14-15,30H,9-12H2,1-3H3
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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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397091
PNG
(2-(5-methyl-2-{5-[(3- phenylpyridin-2-yl) carbonyl...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ncccc1-c1ccccc1
Show InChI InChI=1S/C25H28N4O3/c1-16-22(25(2,3)31)27-24(32-16)29-14-18-12-28(13-19(18)15-29)23(30)21-20(10-7-11-26-21)17-8-5-4-6-9-17/h4-11,18-19,31H,12-15H2,1-3H3
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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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397100
PNG
(2-{5-methyl-2-[5-{(2-(1H- pyrazol-1- yl)phenyl]car...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1-n1cccn1
Show InChI InChI=1S/C23H27N5O3/c1-15-20(23(2,3)30)25-22(31-15)27-13-16-11-26(12-17(16)14-27)21(29)18-7-4-5-8-19(18)28-10-6-9-24-28/h4-10,16-17,30H,11-14H2,1-3H3
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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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397086
PNG
(2-(2-{5-[(2-Ethoxypyridin-3-yl)carbonyl]hexahydrop...)
Show SMILES CCOc1ncccc1C(=O)N1CC2CN(CC2C1)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C21H28N4O4/c1-5-28-18-16(7-6-8-22-18)19(26)24-9-14-11-25(12-15(14)10-24)20-23-17(13(2)29-20)21(3,4)27/h6-8,14-15,27H,5,9-12H2,1-4H3
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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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397101
PNG
(2-{5-methyl-2-[5-{[2-(2H- tetrazol-2-yl) phenyl]ca...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1-n1ncnn1
Show InChI InChI=1S/C21H25N7O3/c1-13-18(21(2,3)30)24-20(31-13)27-10-14-8-26(9-15(14)11-27)19(29)16-6-4-5-7-17(16)28-23-12-22-25-28/h4-7,12,14-15,30H,8-11H2,1-3H3
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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 US9987255 (2018)


BindingDB Entry DOI: 10.7270/Q2222X36
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%