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Patent code US10435398

Compile Data Set for Download or QSAR
Found 70 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))
BDBM414505
PNG
(N-Ethyl-N-{2-[4-(1-hydroxy-1-methylpropyl)-5-methy...)
Show SMILES CCN(CCc1nc(C(=O)N(C)OC)c(C)o1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H24N6O4/c1-5-25(13-10-17-23-18(14(2)30-17)20(28)24(3)29-4)19(27)15-8-6-7-9-16(15)26-21-11-12-22-26/h6-9,11-12H,5,10,13H2,1-4H3
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n/an/a 12n/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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414508
PNG
(N-{2-[4-(1-Hydroxy-1-methylethyl)-5-methyl-1,3-oxa...)
Show SMILES CCCN(CCc1nc(C(=O)OCC)c(C)o1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H25N5O4/c1-4-13-25(14-10-18-24-19(15(3)30-18)21(28)29-5-2)20(27)16-8-6-7-9-17(16)26-22-11-12-23-26/h6-9,11-12H,4-5,10,13-14H2,1-3H3
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n/an/a 19n/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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414515
PNG
(N-(2-(4-(2-Hydroxypropan-2-yl)-5-methyloxazol-2-yl...)
Show SMILES COCCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H27N5O4/c1-15-19(21(2,3)28)24-18(30-15)9-12-25(13-14-29-4)20(27)16-7-5-6-8-17(16)26-22-10-11-23-26/h5-8,10-11,28H,9,12-14H2,1-4H3
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n/an/a 19n/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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414505
PNG
(N-Ethyl-N-{2-[4-(1-hydroxy-1-methylpropyl)-5-methy...)
Show SMILES CCN(CCc1nc(C(=O)N(C)OC)c(C)o1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H24N6O4/c1-5-25(13-10-17-23-18(14(2)30-17)20(28)24(3)29-4)19(27)15-8-6-7-9-16(15)26-21-11-12-22-26/h6-9,11-12H,5,10,13H2,1-4H3
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n/an/a 19n/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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414507
PNG
(N-{2-[4-(1-Hydroxy-1-methylethyl)-5-methyl-1,3-oxa...)
Show SMILES Cc1oc(CCN(CC=C)C(=O)c2ccccc2-n2nccn2)nc1C(O)=O
Show InChI InChI=1S/C19H19N5O4/c1-3-11-23(12-8-16-22-17(19(26)27)13(2)28-16)18(25)14-6-4-5-7-15(14)24-20-9-10-21-24/h3-7,9-10H,1,8,11-12H2,2H3,(H,26,27)
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n/an/a 19n/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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414509
PNG
(N-(Cyclopropylmethyl)-N-{2-[4-(1-hydroxy-1-methyle...)
Show SMILES CCOC(=O)c1nc(CCN(CC2CC2)C(=O)c2ccccc2-n2nccn2)oc1C
Show InChI InChI=1S/C22H25N5O4/c1-3-30-22(29)20-15(2)31-19(25-20)10-13-26(14-16-8-9-16)21(28)17-6-4-5-7-18(17)27-23-11-12-24-27/h4-7,11-12,16H,3,8-10,13-14H2,1-2H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414494
PNG
(2-(1- cyanocyclopropyl)- N-ethyl-N-{2-[4-(1- hydro...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1C1(CC1)C#N
Show InChI InChI=1S/C22H27N3O3/c1-5-25(13-10-18-24-19(15(2)28-18)21(3,4)27)20(26)16-8-6-7-9-17(16)22(14-23)11-12-22/h6-9,27H,5,10-13H2,1-4H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414497
PNG
(N-Ethyl-N-{2-[4-(1-hydroxy-1-methylethyl)-5-methyl...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H25N5O3/c1-5-24(13-10-17-23-18(14(2)28-17)20(3,4)27)19(26)15-8-6-7-9-16(15)25-21-11-12-22-25/h6-9,11-12,27H,5,10,13H2,1-4H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414483
PNG
(N-Ethyl-N-(2-(4-(2-hydroxypropan-2-yl)-5-methyloxa...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C24H28N2O3/c1-5-26(16-15-21-25-22(17(2)29-21)24(3,4)28)23(27)20-14-10-9-13-19(20)18-11-7-6-8-12-18/h6-14,28H,5,15-16H2,1-4H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414518
PNG
(N-Cyclobutyl-N-(2-(4-(2-hydroxypropan-2-yl)-5-meth...)
Show SMILES Cc1oc(CCN(C2CCC2)C(=O)c2ccccc2-n2nccn2)nc1C(C)(C)O
Show InChI InChI=1S/C22H27N5O3/c1-15-20(22(2,3)29)25-19(30-15)11-14-26(16-7-6-8-16)21(28)17-9-4-5-10-18(17)27-23-12-13-24-27/h4-5,9-10,12-13,16,29H,6-8,11,14H2,1-3H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414517
PNG
(N-Cyclopropyl-N-(2-(4-(2-hydroxypropan-2-yl)-5-met...)
Show SMILES COC(=O)C(NC(=O)CCN(C1CC1)C(=O)c1ccccc1-n1nccn1)C(C)=O
Show InChI InChI=1S/C20H23N5O5/c1-13(26)18(20(29)30-2)23-17(27)9-12-24(14-7-8-14)19(28)15-5-3-4-6-16(15)25-21-10-11-22-25/h3-6,10-11,14,18H,7-9,12H2,1-2H3,(H,23,27)
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414485
PNG
(N-Ethyl-3-fluoro-N- {2-[4-(1-hydroxy-1- methylethy...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1cccc(F)c1-n1nccn1
Show InChI InChI=1S/C20H24FN5O3/c1-5-25(12-9-16-24-18(13(2)29-16)20(3,4)28)19(27)14-7-6-8-15(21)17(14)26-22-10-11-23-26/h6-8,10-11,28H,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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414486
PNG
(N-Ethyl-4-fluoro-N- {2-[4-(1-hydroxy-1- methylethy...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccc(F)cc1-n1nccn1
Show InChI InChI=1S/C20H24FN5O3/c1-5-25(11-8-17-24-18(13(2)29-17)20(3,4)28)19(27)15-7-6-14(21)12-16(15)26-22-9-10-23-26/h6-7,9-10,12,28H,5,8,11H2,1-4H3
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n/an/a 48n/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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414484
PNG
(N-Ethyl-N-{2-[4-(1- hydroxy-1- methylethyl)-5- met...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1cccc(C)c1-n1nccn1
Show InChI InChI=1S/C21H27N5O3/c1-6-25(13-10-17-24-19(15(3)29-17)21(4,5)28)20(27)16-9-7-8-14(2)18(16)26-22-11-12-23-26/h7-9,11-12,28H,6,10,13H2,1-5H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414490
PNG
(N-Ethyl-5-fluoro-N- {2-[4-(1-hydroxy-1- methylethy...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1S/C20H24FN5O3/c1-5-25(11-8-17-24-18(13(2)29-17)20(3,4)28)19(27)15-12-14(21)6-7-16(15)26-22-9-10-23-26/h6-7,9-10,12,28H,5,8,11H2,1-4H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414498
PNG
(N-Ethyl-N-{2-[4-(1-hydroxy- 1-methylethyl)-5-methy...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccsc1-n1nccn1
Show InChI InChI=1S/C18H23N5O3S/c1-5-22(10-6-14-21-15(12(2)26-14)18(3,4)25)16(24)13-7-11-27-17(13)23-19-8-9-20-23/h7-9,11,25H,5-6,10H2,1-4H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414511
PNG
(N-(2,2-Difluoroethyl)-N-{2-[4-(1-hydroxy-1-methyle...)
Show SMILES COC(=O)C(NC(=O)CCN(CC(F)F)C(=O)c1ccccc1-n1nccn1)C(C)=O
Show InChI InChI=1S/C19H21F2N5O5/c1-12(27)17(19(30)31-2)24-16(28)7-10-25(11-15(20)21)18(29)13-5-3-4-6-14(13)26-22-8-9-23-26/h3-6,8-9,15,17H,7,10-11H2,1-2H3,(H,24,28)
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414491
PNG
(N-Ethyl-N-{2-[4-(1- hydroxy-1- methylethyl)-5- met...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccc(OC)cc1-n1nccn1
Show InChI InChI=1S/C21H27N5O4/c1-6-25(12-9-18-24-19(14(2)30-18)21(3,4)28)20(27)16-8-7-15(29-5)13-17(16)26-22-10-11-23-26/h7-8,10-11,13,28H,6,9,12H2,1-5H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414499
PNG
(N-Ethyl-N-{2-[4-(1-hydroxy- 1-methylethyl)-5-methy...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1cccnc1OCC(F)(F)F
Show InChI InChI=1S/C19H24F3N3O4/c1-5-25(10-8-14-24-15(12(2)29-14)18(3,4)27)17(26)13-7-6-9-23-16(13)28-11-19(20,21)22/h6-7,9,27H,5,8,10-11H2,1-4H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414514
PNG
(N-(2-hydroxyethyl)-N-(2-(4-(2-hydroxypropan-2-yl)-...)
Show SMILES Cc1oc(CCN(CCO)C(=O)c2ccccc2-n2nccn2)nc1C(C)(C)O
Show InChI InChI=1S/C20H25N5O4/c1-14-18(20(2,3)28)23-17(29-14)8-11-24(12-13-26)19(27)15-6-4-5-7-16(15)25-21-9-10-22-25/h4-7,9-10,26,28H,8,11-13H2,1-3H3
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n/an/a 98n/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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414489
PNG
(N-Ethyl-N-{2-[4-(1- hydroxy-1- methylethyl)-5- met...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1cccnc1-n1cccn1
Show InChI InChI=1S/C20H25N5O3/c1-5-24(13-9-16-23-17(14(2)28-16)20(3,4)27)19(26)15-8-6-10-21-18(15)25-12-7-11-22-25/h6-8,10-12,27H,5,9,13H2,1-4H3
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US Patent
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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414519
PNG
(N-(2-(4-(2-Hydroxypropan-2-yl)-5-methyloxazol-2-yl...)
Show SMILES COCCCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H29N5O4/c1-16-20(22(2,3)29)25-19(31-16)10-14-26(13-7-15-30-4)21(28)17-8-5-6-9-18(17)27-23-11-12-24-27/h5-6,8-9,11-12,29H,7,10,13-15H2,1-4H3
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n/an/a 119n/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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414504
PNG
(2-(1-(difluoro- methyl)cyclopropyl)- N-ethyl-N-(2-...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1C1(CC1)C(F)F
Show InChI InChI=1S/C22H28F2N2O3/c1-5-26(13-10-17-25-18(14(2)29-17)21(3,4)28)19(27)15-8-6-7-9-16(15)22(11-12-22)20(23)24/h6-9,20,28H,5,10-13H2,1-4H3
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US Patent
n/an/a 145n/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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414497
PNG
(N-Ethyl-N-{2-[4-(1-hydroxy-1-methylethyl)-5-methyl...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H25N5O3/c1-5-24(13-10-17-23-18(14(2)28-17)20(3,4)27)19(26)15-8-6-7-9-16(15)25-21-11-12-22-25/h6-9,11-12,27H,5,10,13H2,1-4H3
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n/an/a 152n/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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414500
PNG
(N-Ethyl-N-{2-[4-(1-hydroxy- 1-methylethyl)-5-methy...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1CC(F)(F)F
Show InChI InChI=1S/C20H25F3N2O3/c1-5-25(11-10-16-24-17(13(2)28-16)19(3,4)27)18(26)15-9-7-6-8-14(15)12-20(21,22)23/h6-9,27H,5,10-12H2,1-4H3
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n/an/a 211n/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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414495
PNG
(N-ethyl-N-{2-[4-(1- hydroxy-1- methylethyl)-5- met...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1-c1nc(C)no1
Show InChI InChI=1S/C21H26N4O4/c1-6-25(12-11-17-23-18(13(2)28-17)21(4,5)27)20(26)16-10-8-7-9-15(16)19-22-14(3)24-29-19/h7-10,27H,6,11-12H2,1-5H3
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n/an/a 212n/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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414501
PNG
(2-Ethoxy-N-ethyl-N-{2-[4-(1- hydroxy-1-methylethyl...)
Show SMILES CCOc1ccccc1C(=O)N(CC)CCc1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C20H28N2O4/c1-6-22(19(23)15-10-8-9-11-16(15)25-7-2)13-12-17-21-18(14(3)26-17)20(4,5)24/h8-11,24H,6-7,12-13H2,1-5H3
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n/an/a 223n/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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414493
PNG
(2-(2,2- difluoroethoxy)-N- ethyl-N-{2-[4-(1- hydro...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1cccnc1OCC(F)F
Show InChI InChI=1S/C19H25F2N3O4/c1-5-24(10-8-15-23-16(12(2)28-15)19(3,4)26)18(25)13-7-6-9-22-17(13)27-11-14(20)21/h6-7,9,14,26H,5,8,10-11H2,1-4H3
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n/an/a 224n/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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414503
PNG
(N-Ethyl-N-{2-[4-(1-hydroxy- 1-methylethyl)-5-methy...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1-n1cccn1
Show InChI InChI=1S/C21H26N4O3/c1-5-24(14-11-18-23-19(15(2)28-18)21(3,4)27)20(26)16-9-6-7-10-17(16)25-13-8-12-22-25/h6-10,12-13,27H,5,11,14H2,1-4H3
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n/an/a 292n/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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414513
PNG
(N-{2-[4-(1-Hydroxy-1-methylethyl)-5-methyl-1,3-oxa...)
Show SMILES Cc1oc(CCN(CCCO)C(=O)c2ccccc2-n2nccn2)nc1C(C)(C)O
Show InChI InChI=1S/C21H27N5O4/c1-15-19(21(2,3)29)24-18(30-15)9-13-25(12-6-14-27)20(28)16-7-4-5-8-17(16)26-22-10-11-23-26/h4-5,7-8,10-11,27,29H,6,9,12-14H2,1-3H3
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n/an/a 304n/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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414487
PNG
(2-Cyclopropyl-N- ethyl-N-{2-[4-(1- hydroxy-1- meth...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1C1CC1
Show InChI InChI=1S/C21H28N2O3/c1-5-23(13-12-18-22-19(14(2)26-18)21(3,4)25)20(24)17-9-7-6-8-16(17)15-10-11-15/h6-9,15,25H,5,10-13H2,1-4H3
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n/an/a 387n/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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414516
PNG
(N-(2-(4-(2-Hydroxypropan-2-yl)-5-methyloxazol-2-yl...)
Show SMILES CN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C19H23N5O3/c1-13-17(19(2,3)26)22-16(27-13)9-12-23(4)18(25)14-7-5-6-8-15(14)24-20-10-11-21-24/h5-8,10-11,26H,9,12H2,1-4H3
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n/an/a 390n/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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414496
PNG
(N-ethyl-N-{2-[4-(1- hydroxy-1- methylethyl)-5- met...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1sccc1-n1nccn1
Show InChI InChI=1S/C18H23N5O3S/c1-5-22(10-6-14-21-16(12(2)26-14)18(3,4)25)17(24)15-13(7-11-27-15)23-19-8-9-20-23/h7-9,11,25H,5-6,10H2,1-4H3
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n/an/a 435n/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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414492
PNG
(N-ethyl-N-{2-[4-(1- hydroxy-1- methylethyl)-5- met...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1-n1ncnn1
Show InChI InChI=1S/C19H24N6O3/c1-5-24(11-10-16-22-17(13(2)28-16)19(3,4)27)18(26)14-8-6-7-9-15(14)25-21-12-20-23-25/h6-9,12,27H,5,10-11H2,1-4H3
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n/an/a 491n/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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM414502
PNG
(Methyl 2-(ethyl{2-[4-(1- hydroxy-1-methylethyl)-5-...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1C(=O)OC
Show InChI InChI=1S/C20H26N2O5/c1-6-22(12-11-16-21-17(13(2)27-16)20(3,4)25)18(23)14-9-7-8-10-15(14)19(24)26-5/h7-10,25H,6,11-12H2,1-5H3
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n/an/a 630n/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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414507
PNG
(N-{2-[4-(1-Hydroxy-1-methylethyl)-5-methyl-1,3-oxa...)
Show SMILES Cc1oc(CCN(CC=C)C(=O)c2ccccc2-n2nccn2)nc1C(O)=O
Show InChI InChI=1S/C19H19N5O4/c1-3-11-23(12-8-16-22-17(19(26)27)13(2)28-16)18(25)14-6-4-5-7-15(14)24-20-9-10-21-24/h3-7,9-10H,1,8,11-12H2,2H3,(H,26,27)
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n/an/a 1.01E+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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414494
PNG
(2-(1- cyanocyclopropyl)- N-ethyl-N-{2-[4-(1- hydro...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1C1(CC1)C#N
Show InChI InChI=1S/C22H27N3O3/c1-5-25(13-10-18-24-19(15(2)28-18)21(3,4)27)20(26)16-8-6-7-9-17(16)22(14-23)11-12-22/h6-9,27H,5,10-13H2,1-4H3
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n/an/a 1.76E+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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414483
PNG
(N-Ethyl-N-(2-(4-(2-hydroxypropan-2-yl)-5-methyloxa...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C24H28N2O3/c1-5-26(16-15-21-25-22(17(2)29-21)24(3,4)28)23(27)20-14-10-9-13-19(20)18-11-7-6-8-12-18/h6-14,28H,5,15-16H2,1-4H3
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n/an/a 1.83E+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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414508
PNG
(N-{2-[4-(1-Hydroxy-1-methylethyl)-5-methyl-1,3-oxa...)
Show SMILES CCCN(CCc1nc(C(=O)OCC)c(C)o1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H25N5O4/c1-4-13-25(14-10-18-24-19(15(3)30-18)21(28)29-5-2)20(27)16-8-6-7-9-17(16)26-22-11-12-23-26/h6-9,11-12H,4-5,10,13-14H2,1-3H3
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n/an/a 2.37E+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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414497
PNG
(N-Ethyl-N-{2-[4-(1-hydroxy-1-methylethyl)-5-methyl...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H25N5O3/c1-5-24(13-10-17-23-18(14(2)28-17)20(3,4)27)19(26)15-8-6-7-9-16(15)25-21-11-12-22-25/h6-9,11-12,27H,5,10,13H2,1-4H3
PDB

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n/an/a 2.59E+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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414505
PNG
(N-Ethyl-N-{2-[4-(1-hydroxy-1-methylpropyl)-5-methy...)
Show SMILES CCN(CCc1nc(C(=O)N(C)OC)c(C)o1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H24N6O4/c1-5-25(13-10-17-23-18(14(2)30-17)20(28)24(3)29-4)19(27)15-8-6-7-9-16(15)26-21-11-12-22-26/h6-9,11-12H,5,10,13H2,1-4H3
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n/an/a 2.67E+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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414509
PNG
(N-(Cyclopropylmethyl)-N-{2-[4-(1-hydroxy-1-methyle...)
Show SMILES CCOC(=O)c1nc(CCN(CC2CC2)C(=O)c2ccccc2-n2nccn2)oc1C
Show InChI InChI=1S/C22H25N5O4/c1-3-30-22(29)20-15(2)31-19(25-20)10-13-26(14-16-8-9-16)21(28)17-6-4-5-7-18(17)27-23-11-12-24-27/h4-7,11-12,16H,3,8-10,13-14H2,1-2H3
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n/an/a 2.84E+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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414505
PNG
(N-Ethyl-N-{2-[4-(1-hydroxy-1-methylpropyl)-5-methy...)
Show SMILES CCN(CCc1nc(C(=O)N(C)OC)c(C)o1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H24N6O4/c1-5-25(13-10-17-23-18(14(2)30-17)20(28)24(3)29-4)19(27)15-8-6-7-9-16(15)26-21-11-12-22-26/h6-9,11-12H,5,10,13H2,1-4H3
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n/an/a 3.38E+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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414517
PNG
(N-Cyclopropyl-N-(2-(4-(2-hydroxypropan-2-yl)-5-met...)
Show SMILES COC(=O)C(NC(=O)CCN(C1CC1)C(=O)c1ccccc1-n1nccn1)C(C)=O
Show InChI InChI=1S/C20H23N5O5/c1-13(26)18(20(29)30-2)23-17(27)9-12-24(14-7-8-14)19(28)15-5-3-4-6-16(15)25-21-10-11-22-25/h3-6,10-11,14,18H,7-9,12H2,1-2H3,(H,23,27)
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n/an/a 7.59E+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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414518
PNG
(N-Cyclobutyl-N-(2-(4-(2-hydroxypropan-2-yl)-5-meth...)
Show SMILES Cc1oc(CCN(C2CCC2)C(=O)c2ccccc2-n2nccn2)nc1C(C)(C)O
Show InChI InChI=1S/C22H27N5O3/c1-15-20(22(2,3)29)25-19(30-15)11-14-26(16-7-6-8-16)21(28)17-9-4-5-10-18(17)27-23-12-13-24-27/h4-5,9-10,12-13,16,29H,6-8,11,14H2,1-3H3
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n/an/a 8.18E+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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414492
PNG
(N-ethyl-N-{2-[4-(1- hydroxy-1- methylethyl)-5- met...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1-n1ncnn1
Show InChI InChI=1S/C19H24N6O3/c1-5-24(11-10-16-22-17(13(2)28-16)19(3,4)27)18(26)14-8-6-7-9-15(14)25-21-12-20-23-25/h6-9,12,27H,5,10-11H2,1-4H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414489
PNG
(N-Ethyl-N-{2-[4-(1- hydroxy-1- methylethyl)-5- met...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1cccnc1-n1cccn1
Show InChI InChI=1S/C20H25N5O3/c1-5-24(13-9-16-23-17(14(2)28-16)20(3,4)27)19(26)15-8-6-10-21-18(15)25-12-7-11-22-25/h6-8,10-12,27H,5,9,13H2,1-4H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414513
PNG
(N-{2-[4-(1-Hydroxy-1-methylethyl)-5-methyl-1,3-oxa...)
Show SMILES Cc1oc(CCN(CCCO)C(=O)c2ccccc2-n2nccn2)nc1C(C)(C)O
Show InChI InChI=1S/C21H27N5O4/c1-15-19(21(2,3)29)24-18(30-15)9-13-25(12-6-14-27)20(28)16-7-4-5-8-17(16)26-22-10-11-23-26/h4-5,7-8,10-11,27,29H,6,9,12-14H2,1-3H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414515
PNG
(N-(2-(4-(2-Hydroxypropan-2-yl)-5-methyloxazol-2-yl...)
Show SMILES COCCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H27N5O4/c1-15-19(21(2,3)28)24-18(30-15)9-12-25(13-14-29-4)20(27)16-7-5-6-8-17(16)26-22-10-11-23-26/h5-8,10-11,28H,9,12-14H2,1-4H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414491
PNG
(N-Ethyl-N-{2-[4-(1- hydroxy-1- methylethyl)-5- met...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccc(OC)cc1-n1nccn1
Show InChI InChI=1S/C21H27N5O4/c1-6-25(12-9-18-24-19(14(2)30-18)21(3,4)28)20(27)16-8-7-15(29-5)13-17(16)26-22-10-11-23-26/h7-8,10-11,13,28H,6,9,12H2,1-5H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414493
PNG
(2-(2,2- difluoroethoxy)-N- ethyl-N-{2-[4-(1- hydro...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1cccnc1OCC(F)F
Show InChI InChI=1S/C19H25F2N3O4/c1-5-24(10-8-15-23-16(12(2)28-15)19(3,4)26)18(25)13-7-6-9-22-17(13)27-11-14(20)21/h6-7,9,14,26H,5,8,10-11H2,1-4H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414495
PNG
(N-ethyl-N-{2-[4-(1- hydroxy-1- methylethyl)-5- met...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1-c1nc(C)no1
Show InChI InChI=1S/C21H26N4O4/c1-6-25(12-11-17-23-18(13(2)28-17)21(4,5)27)20(26)16-10-8-7-9-15(16)19-22-14(3)24-29-19/h7-10,27H,6,11-12H2,1-5H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414486
PNG
(N-Ethyl-4-fluoro-N- {2-[4-(1-hydroxy-1- methylethy...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccc(F)cc1-n1nccn1
Show InChI InChI=1S/C20H24FN5O3/c1-5-25(11-8-17-24-18(13(2)29-17)20(3,4)28)19(27)15-7-6-14(21)12-16(15)26-22-9-10-23-26/h6-7,9-10,12,28H,5,8,11H2,1-4H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414497
PNG
(N-Ethyl-N-{2-[4-(1-hydroxy-1-methylethyl)-5-methyl...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H25N5O3/c1-5-24(13-10-17-23-18(14(2)28-17)20(3,4)27)19(26)15-8-6-7-9-16(15)25-21-11-12-22-25/h6-9,11-12,27H,5,10,13H2,1-4H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414498
PNG
(N-Ethyl-N-{2-[4-(1-hydroxy- 1-methylethyl)-5-methy...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccsc1-n1nccn1
Show InChI InChI=1S/C18H23N5O3S/c1-5-22(10-6-14-21-15(12(2)26-14)18(3,4)25)16(24)13-7-11-27-17(13)23-19-8-9-20-23/h7-9,11,25H,5-6,10H2,1-4H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414514
PNG
(N-(2-hydroxyethyl)-N-(2-(4-(2-hydroxypropan-2-yl)-...)
Show SMILES Cc1oc(CCN(CCO)C(=O)c2ccccc2-n2nccn2)nc1C(C)(C)O
Show InChI InChI=1S/C20H25N5O4/c1-14-18(20(2,3)28)23-17(29-14)8-11-24(12-13-26)19(27)15-6-4-5-7-16(15)25-21-9-10-22-25/h4-7,9-10,26,28H,8,11-13H2,1-3H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414485
PNG
(N-Ethyl-3-fluoro-N- {2-[4-(1-hydroxy-1- methylethy...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1cccc(F)c1-n1nccn1
Show InChI InChI=1S/C20H24FN5O3/c1-5-25(12-9-16-24-18(13(2)29-16)20(3,4)28)19(27)14-7-6-8-15(21)17(14)26-22-10-11-23-26/h6-8,10-11,28H,5,9,12H2,1-4H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414487
PNG
(2-Cyclopropyl-N- ethyl-N-{2-[4-(1- hydroxy-1- meth...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1C1CC1
Show InChI InChI=1S/C21H28N2O3/c1-5-23(13-12-18-22-19(14(2)26-18)21(3,4)25)20(24)17-9-7-6-8-16(17)15-10-11-15/h6-9,15,25H,5,10-13H2,1-4H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414501
PNG
(2-Ethoxy-N-ethyl-N-{2-[4-(1- hydroxy-1-methylethyl...)
Show SMILES CCOc1ccccc1C(=O)N(CC)CCc1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C20H28N2O4/c1-6-22(19(23)15-10-8-9-11-16(15)25-7-2)13-12-17-21-18(14(3)26-17)20(4,5)24/h8-11,24H,6-7,12-13H2,1-5H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414502
PNG
(Methyl 2-(ethyl{2-[4-(1- hydroxy-1-methylethyl)-5-...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1C(=O)OC
Show InChI InChI=1S/C20H26N2O5/c1-6-22(12-11-16-21-17(13(2)27-16)20(3,4)25)18(23)14-9-7-8-10-15(14)19(24)26-5/h7-10,25H,6,11-12H2,1-5H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414499
PNG
(N-Ethyl-N-{2-[4-(1-hydroxy- 1-methylethyl)-5-methy...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1cccnc1OCC(F)(F)F
Show InChI InChI=1S/C19H24F3N3O4/c1-5-25(10-8-14-24-15(12(2)29-14)18(3,4)27)17(26)13-7-6-9-23-16(13)28-11-19(20,21)22/h6-7,9,27H,5,8,10-11H2,1-4H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414484
PNG
(N-Ethyl-N-{2-[4-(1- hydroxy-1- methylethyl)-5- met...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1cccc(C)c1-n1nccn1
Show InChI InChI=1S/C21H27N5O3/c1-6-25(13-10-17-24-19(15(3)29-17)21(4,5)28)20(27)16-9-7-8-14(2)18(16)26-22-11-12-23-26/h7-9,11-12,28H,6,10,13H2,1-5H3
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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414500
PNG
(N-Ethyl-N-{2-[4-(1-hydroxy- 1-methylethyl)-5-methy...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1CC(F)(F)F
Show InChI InChI=1S/C20H25F3N2O3/c1-5-25(11-10-16-24-17(13(2)28-16)19(3,4)27)18(26)15-9-7-6-8-14(15)12-20(21,22)23/h6-9,27H,5,10-12H2,1-4H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414504
PNG
(2-(1-(difluoro- methyl)cyclopropyl)- N-ethyl-N-(2-...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1C1(CC1)C(F)F
Show InChI InChI=1S/C22H28F2N2O3/c1-5-26(13-10-17-25-18(14(2)29-17)21(3,4)28)19(27)15-8-6-7-9-16(15)22(11-12-22)20(23)24/h6-9,20,28H,5,10-13H2,1-4H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414511
PNG
(N-(2,2-Difluoroethyl)-N-{2-[4-(1-hydroxy-1-methyle...)
Show SMILES COC(=O)C(NC(=O)CCN(CC(F)F)C(=O)c1ccccc1-n1nccn1)C(C)=O
Show InChI InChI=1S/C19H21F2N5O5/c1-12(27)17(19(30)31-2)24-16(28)7-10-25(11-15(20)21)18(29)13-5-3-4-6-14(13)26-22-8-9-23-26/h3-6,8-9,15,17H,7,10-11H2,1-2H3,(H,24,28)
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414519
PNG
(N-(2-(4-(2-Hydroxypropan-2-yl)-5-methyloxazol-2-yl...)
Show SMILES COCCCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H29N5O4/c1-16-20(22(2,3)29)25-19(31-16)10-14-26(13-7-15-30-4)21(28)17-8-5-6-9-18(17)27-23-11-12-24-27/h5-6,8-9,11-12,29H,7,10,13-15H2,1-4H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414516
PNG
(N-(2-(4-(2-Hydroxypropan-2-yl)-5-methyloxazol-2-yl...)
Show SMILES CN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C19H23N5O3/c1-13-17(19(2,3)26)22-16(27-13)9-12-23(4)18(25)14-7-5-6-8-15(14)24-20-10-11-21-24/h5-8,10-11,26H,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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414496
PNG
(N-ethyl-N-{2-[4-(1- hydroxy-1- methylethyl)-5- met...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1sccc1-n1nccn1
Show InChI InChI=1S/C18H23N5O3S/c1-5-22(10-6-14-21-16(12(2)26-14)18(3,4)25)17(24)15-13(7-11-27-15)23-19-8-9-20-23/h7-9,11,25H,5-6,10H2,1-4H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414503
PNG
(N-Ethyl-N-{2-[4-(1-hydroxy- 1-methylethyl)-5-methy...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1ccccc1-n1cccn1
Show InChI InChI=1S/C21H26N4O3/c1-5-24(14-11-18-23-19(15(2)28-18)21(3,4)27)20(26)16-9-6-7-10-17(16)25-13-8-12-22-25/h6-10,12-13,27H,5,11,14H2,1-4H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM414490
PNG
(N-Ethyl-5-fluoro-N- {2-[4-(1-hydroxy-1- methylethy...)
Show SMILES CCN(CCc1nc(c(C)o1)C(C)(C)O)C(=O)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1S/C20H24FN5O3/c1-5-25(11-8-17-24-18(13(2)29-17)20(3,4)28)19(27)15-12-14(21)6-7-16(15)26-22-9-10-23-26/h6-7,9-10,12,28H,5,8,11H2,1-4H3
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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 US10435398 (2019)


BindingDB Entry DOI: 10.7270/Q24M96WM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%