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Patent code US10239838

Compile Data Set for Download or QSAR
Found 106 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))
BDBM370854
PNG
(US10239838, Example 48)
Show SMILES CCN(CCc1ccc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H27N5O2/c1-5-26(15-12-17-11-10-16(2)20(25-17)22(3,4)29)21(28)18-8-6-7-9-19(18)27-23-13-14-24-27/h6-11,13-14,29H,5,12,15H2,1-4H3
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n/an/a 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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370828
PNG
(N-ethyl-4-fluoro-N-{2-[6-(1- hydroxy-1-methylethyl...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccc(F)cc1-n1nccn1
Show InChI InChI=1S/C21H24FN5O2/c1-4-26(13-10-16-6-5-7-19(25-16)21(2,3)29)20(28)17-9-8-15(22)14-18(17)27-23-11-12-24-27/h5-9,11-12,14,29H,4,10,13H2,1-3H3
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n/an/a 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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370842
PNG
(2-(2,2-difluorocyclopropyl)-N-ethyl- N-(2-(6-(2-hy...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1C1CC1(F)F
Show InChI InChI=1S/C22H26F2N2O2/c1-4-26(13-12-15-8-7-11-19(25-15)21(2,3)28)20(27)17-10-6-5-9-16(17)18-14-22(18,23)24/h5-11,18,28H,4,12-14H2,1-3H3
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n/an/a 14n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370819
PNG
(US10239838, Example 4)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H25N5O2/c1-4-25(15-12-16-8-7-11-19(24-16)21(2,3)28)20(27)17-9-5-6-10-18(17)26-22-13-14-23-26/h5-11,13-14,28H,4,12,15H2,1-3H3
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n/an/a 15n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370853
PNG
(US10239838, Example 47)
Show SMILES CCN(CCc1cc(C)c(Br)cn1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C19H20BrN5O/c1-3-24(11-8-15-12-14(2)17(20)13-21-15)19(26)16-6-4-5-7-18(16)25-22-9-10-23-25/h4-7,9-10,12-13H,3,8,11H2,1-2H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370834
PNG
(2-cyclopropyl-N-ethyl-N-(2-(6-(2- hydroxypropan-2-...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccc(OC)nc1C1CC1
Show InChI InChI=1S/C22H29N3O3/c1-5-25(14-13-16-7-6-8-18(23-16)22(2,3)27)21(26)17-11-12-19(28-4)24-20(17)15-9-10-15/h6-8,11-12,15,27H,5,9-10,13-14H2,1-4H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370843
PNG
(US10239838, Example 32)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1-c1ncccn1
Show InChI InChI=1S/C23H26N4O2/c1-4-27(16-13-17-9-7-12-20(26-17)23(2,3)29)22(28)19-11-6-5-10-18(19)21-24-14-8-15-25-21/h5-12,14-15,29H,4,13,16H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370867
PNG
(N-ethyl-4-fluoro-N-{2-[5-(1- hydroxy-1-methylethyl...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1ccc(F)cc1-n1nccn1
Show InChI InChI=1S/C21H24FN5O2/c1-4-26(12-9-17-7-5-15(14-23-17)21(2,3)29)20(28)18-8-6-16(22)13-19(18)27-24-10-11-25-27/h5-8,10-11,13-14,29H,4,9,12H2,1-3H3
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n/an/a 26n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370823
PNG
(N-ethyl-N-{2-[6-(1-hydroxy-1- methylethyl)pyridin-...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C20H23F3N2O3/c1-4-25(13-12-14-8-7-11-17(24-14)19(2,3)27)18(26)15-9-5-6-10-16(15)28-20(21,22)23/h5-11,27H,4,12-13H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370838
PNG
(2-cyclobutyl-N-ethyl-N-(2-(6-(2- hydroxypropan-2-y...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1C1CCC1
Show InChI InChI=1S/C23H30N2O2/c1-4-25(16-15-18-11-8-14-21(24-18)23(2,3)27)22(26)20-13-6-5-12-19(20)17-9-7-10-17/h5-6,8,11-14,17,27H,4,7,9-10,15-16H2,1-3H3
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n/an/a 34n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370837
PNG
(N-ethyl-N-(2-(6-(2-hydroxypropan-2- yl)pyridin-2-y...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1cccnc1-n1cccn1
Show InChI InChI=1S/C21H25N5O2/c1-4-25(15-11-16-8-5-10-18(24-16)21(2,3)28)20(27)17-9-6-12-22-19(17)26-14-7-13-23-26/h5-10,12-14,28H,4,11,15H2,1-3H3
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n/an/a 36n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370869
PNG
(2-(2,2-difluorocyclopropyl)-N- ethyl-N-{2-[5-(1-hy...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1ccccc1C1CC1(F)F
Show InChI InChI=1S/C22H26F2N2O2/c1-4-26(12-11-16-10-9-15(14-25-16)21(2,3)28)20(27)18-8-6-5-7-17(18)19-13-22(19,23)24/h5-10,14,19,28H,4,11-13H2,1-3H3
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n/an/a 38n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370830
PNG
(2-cyclopropyl-N-ethyl-N-{2-[6-(1- hydroxy-1-methyl...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1C1CC1
Show InChI InChI=1S/C22H28N2O2/c1-4-24(15-14-17-8-7-11-20(23-17)22(2,3)26)21(25)19-10-6-5-9-18(19)16-12-13-16/h5-11,16,26H,4,12-15H2,1-3H3
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n/an/a 43n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370844
PNG
(US10239838, Example 35)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H25N5O2/c1-4-25(14-11-17-10-9-16(15-22-17)21(2,3)28)20(27)18-7-5-6-8-19(18)26-23-12-13-24-26/h5-10,12-13,15,28H,4,11,14H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370865
PNG
(2-cyclopropyl-N-ethyl-N-{2-[5-(1- hydroxy-1-methyl...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1ccc(OC)nc1C1CC1
Show InChI InChI=1S/C22H29N3O3/c1-5-25(13-12-17-9-8-16(14-23-17)22(2,3)27)21(26)18-10-11-19(28-4)24-20(18)15-6-7-15/h8-11,14-15,27H,5-7,12-13H2,1-4H3
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n/an/a 55n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370851
PNG
(US10239838, Example 44)
Show SMILES CCN(CCc1nccc(n1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H24N6O2/c1-4-25(14-10-18-21-11-9-17(24-18)20(2,3)28)19(27)15-7-5-6-8-16(15)26-22-12-13-23-26/h5-9,11-13,28H,4,10,14H2,1-3H3
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n/an/a 58n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370868
PNG
(2-cyclobutyl-N-ethyl-N-{2-[5-(1- hydroxy-1-methyle...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1ccccc1C1CCC1
Show InChI InChI=1S/C23H30N2O2/c1-4-25(15-14-19-13-12-18(16-24-19)23(2,3)27)22(26)21-11-6-5-10-20(21)17-8-7-9-17/h5-6,10-13,16-17,27H,4,7-9,14-15H2,1-3H3
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n/an/a 62n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370827
PNG
(N-ethyl-N-{2-[6-(1-hydroxy-1- methylethyl)pyridin-...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1-n1cccn1
Show InChI InChI=1S/C22H26N4O2/c1-4-25(16-13-17-9-7-12-20(24-17)22(2,3)28)21(27)18-10-5-6-11-19(18)26-15-8-14-23-26/h5-12,14-15,28H,4,13,16H2,1-3H3
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n/an/a 66n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370847
PNG
(US10239838, Example 39)
Show SMILES CCN(CCc1cncc(n1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H24N6O2/c1-4-25(12-9-15-13-21-14-18(24-15)20(2,3)28)19(27)16-7-5-6-8-17(16)26-22-10-11-23-26/h5-8,10-11,13-14,28H,4,9,12H2,1-3H3
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n/an/a 68n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370818
PNG
(US10239838, Example 1)
Show SMILES CCN(CCc1cc(ccn1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H25N5O2/c1-4-25(14-10-17-15-16(9-11-22-17)21(2,3)28)20(27)18-7-5-6-8-19(18)26-23-12-13-24-26/h5-9,11-13,15,28H,4,10,14H2,1-3H3
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n/an/a 69n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370825
PNG
(N-ethyl-N-{2-[6-(1-hydroxy-1- methylethyl)pyridin-...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1cccnc1OCC(F)(F)F
Show InChI InChI=1S/C20H24F3N3O3/c1-4-26(12-10-14-7-5-9-16(25-14)19(2,3)28)18(27)15-8-6-11-24-17(15)29-13-20(21,22)23/h5-9,11,28H,4,10,12-13H2,1-3H3
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n/an/a 69n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370848
PNG
(US10239838, Example 40)
Show SMILES CCN(CCc1ccnc(n1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H24N6O2/c1-4-25(14-10-15-9-11-21-19(24-15)20(2,3)28)18(27)16-7-5-6-8-17(16)26-22-12-13-23-26/h5-9,11-13,28H,4,10,14H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370826
PNG
(2-ethoxy-N-ethyl-N-{2-[6-(1- hydroxy-1-methylethyl...)
Show SMILES CCOc1ccccc1C(=O)N(CC)CCc1cccc(n1)C(C)(C)O
Show InChI InChI=1S/C21H28N2O3/c1-5-23(20(24)17-11-7-8-12-18(17)26-6-2)15-14-16-10-9-13-19(22-16)21(3,4)25/h7-13,25H,5-6,14-15H2,1-4H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370857
PNG
(N-ethyl-N-{2-[5-(1-hydroxy-1- methylethyl)pyridin-...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1ccccc1N1CCCC1
Show InChI InChI=1S/C23H31N3O2/c1-4-25(16-13-19-12-11-18(17-24-19)23(2,3)28)22(27)20-9-5-6-10-21(20)26-14-7-8-15-26/h5-6,9-12,17,28H,4,7-8,13-16H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370849
PNG
(US10239838, Example 41)
Show SMILES CCN(CCc1ncc(Br)cn1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C17H17BrN6O/c1-2-23(10-7-16-19-11-13(18)12-20-16)17(25)14-5-3-4-6-15(14)24-21-8-9-22-24/h3-6,8-9,11-12H,2,7,10H2,1H3
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n/an/a 86n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370840
PNG
(N-ethyl-N-(2-(6-(2-hydroxypropan-2- yl)pyridin-2-y...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1N1CCCC1
Show InChI InChI=1S/C23H31N3O2/c1-4-25(17-14-18-10-9-13-21(24-18)23(2,3)28)22(27)19-11-5-6-12-20(19)26-15-7-8-16-26/h5-6,9-13,28H,4,7-8,14-17H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370824
PNG
(2-(2,2-difluoroethoxy)-N-ethyl-N-{2- [6-(1-hydroxy...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1cccnc1OCC(F)F
Show InChI InChI=1S/C20H25F2N3O3/c1-4-25(12-10-14-7-5-9-16(24-14)20(2,3)27)19(26)15-8-6-11-23-18(15)28-13-17(21)22/h5-9,11,17,27H,4,10,12-13H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370829
PNG
(N-ethyl-N-{2-[6-(1-hydroxy-1- methylethyl)pyridin-...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1cccnc1-c1ccccc1
Show InChI InChI=1S/C24H27N3O2/c1-4-27(17-15-19-12-8-14-21(26-19)24(2,3)29)23(28)20-13-9-16-25-22(20)18-10-6-5-7-11-18/h5-14,16,29H,4,15,17H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370831
PNG
(N-ethyl-N-(2-(6-(2-hydroxypropan-2- yl)pyridin-2-y...)
Show SMILES CCCc1ccccc1C(=O)N(CC)CCc1cccc(n1)C(C)(C)O
Show InChI InChI=1S/C22H30N2O2/c1-5-10-17-11-7-8-13-19(17)21(25)24(6-2)16-15-18-12-9-14-20(23-18)22(3,4)26/h7-9,11-14,26H,5-6,10,15-16H2,1-4H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370833
PNG
(N-ethyl-N-(2-(6-(2-hydroxypropan-2- yl)pyridin-2-y...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1CC(F)(F)F
Show InChI InChI=1S/C21H25F3N2O2/c1-4-26(13-12-16-9-7-11-18(25-16)20(2,3)28)19(27)17-10-6-5-8-15(17)14-21(22,23)24/h5-11,28H,4,12-14H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370845
PNG
(US10239838, Example 37)
Show SMILES CCN(CCc1ccnc(c1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H25N5O2/c1-4-25(14-10-16-9-11-22-19(15-16)21(2,3)28)20(27)17-7-5-6-8-18(17)26-23-12-13-24-26/h5-9,11-13,15,28H,4,10,14H2,1-3H3
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n/an/a 124n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370820
PNG
(US10239838, Example 5)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1cccnc1OC(C)C
Show InChI InChI=1S/C21H29N3O3/c1-6-24(14-12-16-9-7-11-18(23-16)21(4,5)26)20(25)17-10-8-13-22-19(17)27-15(2)3/h7-11,13,15,26H,6,12,14H2,1-5H3
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n/an/a 133n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370835
PNG
(2-(2,2-difluoroethoxy)-N-ethyl-N-(2- (6-(2-hydroxy...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1OCC(F)F
Show InChI InChI=1S/C21H26F2N2O3/c1-4-25(13-12-15-8-7-11-18(24-15)21(2,3)27)20(26)16-9-5-6-10-17(16)28-14-19(22)23/h5-11,19,27H,4,12-14H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370836
PNG
(2-(2,2-difluoroethyl)-N-ethyl-N-(2- (6-(2-hydroxyp...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1CC(F)F
Show InChI InChI=1S/C21H26F2N2O2/c1-4-25(13-12-16-9-7-11-18(24-16)21(2,3)27)20(26)17-10-6-5-8-15(17)14-19(22)23/h5-11,19,27H,4,12-14H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370841
PNG
(N-ethyl-N-(2-(6-(2-hydroxypropan-2- yl)pyridin-2-y...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1-n1ncnn1
Show InChI InChI=1S/C20H24N6O2/c1-4-25(13-12-15-8-7-11-18(23-15)20(2,3)28)19(27)16-9-5-6-10-17(16)26-22-14-21-24-26/h5-11,14,28H,4,12-13H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370846
PNG
(US10239838, Example 38)
Show SMILES CCN(CCc1cncc(Br)c1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C18H18BrN5O/c1-2-23(10-7-14-11-15(19)13-20-12-14)18(25)16-5-3-4-6-17(16)24-21-8-9-22-24/h3-6,8-9,11-13H,2,7,10H2,1H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370850
PNG
(US10239838, Example 43)
Show SMILES CCN(CCc1nccc(n1)C(=O)OC)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C19H20N6O3/c1-3-24(13-9-17-20-10-8-15(23-17)19(27)28-2)18(26)14-6-4-5-7-16(14)25-21-11-12-22-25/h4-8,10-12H,3,9,13H2,1-2H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370852
PNG
(US10239838, Example 46)
Show SMILES CCN(CCc1cnc(Br)cn1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C17H17BrN6O/c1-2-23(10-7-13-11-20-16(18)12-19-13)17(25)14-5-3-4-6-15(14)24-21-8-9-22-24/h3-6,8-9,11-12H,2,7,10H2,1H3
PDB

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n/an/a 170n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370859
PNG
(N-ethyl-N-{2-[5-(1-hydroxy-1- methylethyl)pyridin-...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1ccccc1-n1cccn1
Show InChI InChI=1S/C22H26N4O2/c1-4-25(15-12-18-11-10-17(16-23-18)22(2,3)28)21(27)19-8-5-6-9-20(19)26-14-7-13-24-26/h5-11,13-14,16,28H,4,12,15H2,1-3H3
PDB

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n/an/a 183n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370822
PNG
(2-(difluoromethoxy)-N-ethyl-N-{2- [6-(1-hydroxy-1-...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1OC(F)F
Show InChI InChI=1S/C20H24F2N2O3/c1-4-24(13-12-14-8-7-11-17(23-14)20(2,3)26)18(25)15-9-5-6-10-16(15)27-19(21)22/h5-11,19,26H,4,12-13H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370821
PNG
(2-ethoxy-N-ethyl-N-{2-[6-(1- hydroxy-1-methylethyl...)
Show SMILES CCOc1ncccc1C(=O)N(CC)CCc1cccc(n1)C(C)(C)O
Show InChI InChI=1S/C20H27N3O3/c1-5-23(19(24)16-10-8-13-21-18(16)26-6-2)14-12-15-9-7-11-17(22-15)20(3,4)25/h7-11,13,25H,5-6,12,14H2,1-4H3
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n/an/a 206n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370856
PNG
(N-ethyl-N-{2-[5-(1-hydroxy-1- methylethyl)pyridin-...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C20H23F3N2O3/c1-4-25(12-11-15-10-9-14(13-24-15)19(2,3)27)18(26)16-7-5-6-8-17(16)28-20(21,22)23/h5-10,13,27H,4,11-12H2,1-3H3
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n/an/a 239n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370866
PNG
(2-cyclopropyl-N-ethyl-N-{2-[5-(1- hydroxy-1-methyl...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1ccccc1C1CC1
Show InChI InChI=1S/C22H28N2O2/c1-4-24(14-13-18-12-11-17(15-23-18)22(2,3)26)21(25)20-8-6-5-7-19(20)16-9-10-16/h5-8,11-12,15-16,26H,4,9-10,13-14H2,1-3H3
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n/an/a 244n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370855
PNG
(US10239838, Example 49)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1cccnc1-n1cccn1
Show InChI InChI=1S/C21H25N5O2/c1-4-25(14-10-17-9-8-16(15-23-17)21(2,3)28)20(27)18-7-5-11-22-19(18)26-13-6-12-24-26/h5-9,11-13,15,28H,4,10,14H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370832
PNG
(N-ethyl-N-(2-(6-(2-hydroxypropan-2- yl)pyridin-2-y...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C21H25F3N2O3/c1-4-26(13-12-15-8-7-11-18(25-15)20(2,3)28)19(27)16-9-5-6-10-17(16)29-14-21(22,23)24/h5-11,28H,4,12-14H2,1-3H3
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n/an/a 261n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370864
PNG
(N-ethyl-N-{2-[5-(1-hydroxy-1- methylethyl)pyridin-...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1cccnc1-c1ccccc1
Show InChI InChI=1S/C24H27N3O2/c1-4-27(16-14-20-13-12-19(17-26-20)24(2,3)29)23(28)21-11-8-15-25-22(21)18-9-6-5-7-10-18/h5-13,15,17,29H,4,14,16H2,1-3H3
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n/an/a 334n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370858
PNG
(N-ethyl-N-{2-[5-(1-hydroxy-1- methylethyl)pyridin-...)
Show SMILES CCCc1ccccc1C(=O)N(CC)CCc1ccc(cn1)C(C)(C)O
Show InChI InChI=1S/C22H30N2O2/c1-5-9-17-10-7-8-11-20(17)21(25)24(6-2)15-14-19-13-12-18(16-23-19)22(3,4)26/h7-8,10-13,16,26H,5-6,9,14-15H2,1-4H3
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n/an/a 336n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370870
PNG
(2-(2,2-difluoroethoxy)-N-ethyl-N- {2-[5-(1-hydroxy...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1cccnc1OCC(F)F
Show InChI InChI=1S/C20H25F2N3O3/c1-4-25(11-9-15-8-7-14(12-24-15)20(2,3)27)19(26)16-6-5-10-23-18(16)28-13-17(21)22/h5-8,10,12,17,27H,4,9,11,13H2,1-3H3
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n/an/a 337n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370861
PNG
(N-ethyl-N-{2-[5-(1-hydroxy-1- methylethyl)pyridin-...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1ccccc1-n1ncnn1
Show InChI InChI=1S/C20H24N6O2/c1-4-25(12-11-16-10-9-15(13-21-16)20(2,3)28)19(27)17-7-5-6-8-18(17)26-23-14-22-24-26/h5-10,13-14,28H,4,11-12H2,1-3H3
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n/an/a 388n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370862
PNG
(N-ethyl-N-{2-[5-(1-hydroxy-1- methylethyl)pyridin-...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1cccnc1OCC(F)(F)F
Show InChI InChI=1S/C20H24F3N3O3/c1-4-26(11-9-15-8-7-14(12-25-15)19(2,3)28)18(27)16-6-5-10-24-17(16)29-13-20(21,22)23/h5-8,10,12,28H,4,9,11,13H2,1-3H3
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n/an/a 430n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370860
PNG
(N-ethyl-N-{2-[5-(1-hydroxy-1- methylethyl)pyridin-...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1ccccc1CC(F)(F)F
Show InChI InChI=1S/C21H25F3N2O2/c1-4-26(12-11-17-10-9-16(14-25-17)20(2,3)28)19(27)18-8-6-5-7-15(18)13-21(22,23)24/h5-10,14,28H,4,11-13H2,1-3H3
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n/an/a 440n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370839
PNG
(N-ethyl-N-(2-(6-(2-hydroxypropan-2- yl)pyridin-2-y...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ncccc1-c1ccccc1
Show InChI InChI=1S/C24H27N3O2/c1-4-27(17-15-19-12-8-14-21(26-19)24(2,3)29)23(28)22-20(13-9-16-25-22)18-10-6-5-7-11-18/h5-14,16,29H,4,15,17H2,1-3H3
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n/an/a 452n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM370863
PNG
(2-ethoxy-N-ethyl-N-{2-[5-(1- hydroxy-1-methylethyl...)
Show SMILES CCOc1ccccc1C(=O)N(CC)CCc1ccc(cn1)C(C)(C)O
Show InChI InChI=1S/C21H28N2O3/c1-5-23(20(24)18-9-7-8-10-19(18)26-6-2)14-13-17-12-11-16(15-22-17)21(3,4)25/h7-12,15,25H,5-6,13-14H2,1-4H3
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n/an/a 547n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370854
PNG
(US10239838, Example 48)
Show SMILES CCN(CCc1ccc(C)c(n1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H27N5O2/c1-5-26(15-12-17-11-10-16(2)20(25-17)22(3,4)29)21(28)18-8-6-7-9-19(18)27-23-13-14-24-27/h6-11,13-14,29H,5,12,15H2,1-4H3
PDB

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n/an/a 791n/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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370853
PNG
(US10239838, Example 47)
Show SMILES CCN(CCc1cc(C)c(Br)cn1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C19H20BrN5O/c1-3-24(11-8-15-12-14(2)17(20)13-21-15)19(26)16-6-4-5-7-18(16)25-22-9-10-23-25/h4-7,9-10,12-13H,3,8,11H2,1-2H3
PDB

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



Merck Sharp & Dohme Corp

US Patent


Assay Description
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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370819
PNG
(US10239838, Example 4)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H25N5O2/c1-4-25(15-12-16-8-7-11-19(24-16)21(2,3)28)20(27)17-9-5-6-10-18(17)26-22-13-14-23-26/h5-11,13-14,28H,4,12,15H2,1-3H3
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n/an/a 2.31E+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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370849
PNG
(US10239838, Example 41)
Show SMILES CCN(CCc1ncc(Br)cn1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C17H17BrN6O/c1-2-23(10-7-16-19-11-13(18)12-20-16)17(25)14-5-3-4-6-15(14)24-21-8-9-22-24/h3-6,8-9,11-12H,2,7,10H2,1H3
PDB

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n/an/a 3.23E+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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370838
PNG
(2-cyclobutyl-N-ethyl-N-(2-(6-(2- hydroxypropan-2-y...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1C1CCC1
Show InChI InChI=1S/C23H30N2O2/c1-4-25(16-15-18-11-8-14-21(24-18)23(2,3)27)22(26)20-13-6-5-12-19(20)17-9-7-10-17/h5-6,8,11-14,17,27H,4,7,9-10,15-16H2,1-3H3
PDB

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n/an/a 6.95E+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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370843
PNG
(US10239838, Example 32)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1-c1ncccn1
Show InChI InChI=1S/C23H26N4O2/c1-4-27(16-13-17-9-7-12-20(26-17)23(2,3)29)22(28)19-11-6-5-10-18(19)21-24-14-8-15-25-21/h5-12,14-15,29H,4,13,16H2,1-3H3
PDB

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n/an/a 7.36E+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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370842
PNG
(2-(2,2-difluorocyclopropyl)-N-ethyl- N-(2-(6-(2-hy...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1C1CC1(F)F
Show InChI InChI=1S/C22H26F2N2O2/c1-4-26(13-12-15-8-7-11-19(25-15)21(2,3)28)20(27)17-10-6-5-9-16(17)18-14-22(18,23)24/h5-11,18,28H,4,12-14H2,1-3H3
PDB

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n/an/a 9.04E+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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370834
PNG
(2-cyclopropyl-N-ethyl-N-(2-(6-(2- hydroxypropan-2-...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccc(OC)nc1C1CC1
Show InChI InChI=1S/C22H29N3O3/c1-5-25(14-13-16-7-6-8-18(23-16)22(2,3)27)21(26)17-11-12-19(28-4)24-20(17)15-9-10-15/h6-8,11-12,15,27H,5,9-10,13-14H2,1-4H3
PDB

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n/an/a 9.08E+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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370829
PNG
(N-ethyl-N-{2-[6-(1-hydroxy-1- methylethyl)pyridin-...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1cccnc1-c1ccccc1
Show InChI InChI=1S/C24H27N3O2/c1-4-27(17-15-19-12-8-14-21(26-19)24(2,3)29)23(28)20-13-9-16-25-22(20)18-10-6-5-7-11-18/h5-14,16,29H,4,15,17H2,1-3H3
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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370844
PNG
(US10239838, Example 35)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H25N5O2/c1-4-25(14-11-17-10-9-16(15-22-17)21(2,3)28)20(27)18-7-5-6-8-19(18)26-23-12-13-24-26/h5-10,12-13,15,28H,4,11,14H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370850
PNG
(US10239838, Example 43)
Show SMILES CCN(CCc1nccc(n1)C(=O)OC)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C19H20N6O3/c1-3-24(13-9-17-20-10-8-15(23-17)19(27)28-2)18(26)14-6-4-5-7-16(14)25-21-11-12-22-25/h4-8,10-12H,3,9,13H2,1-2H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370862
PNG
(N-ethyl-N-{2-[5-(1-hydroxy-1- methylethyl)pyridin-...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1cccnc1OCC(F)(F)F
Show InChI InChI=1S/C20H24F3N3O3/c1-4-26(11-9-15-8-7-14(12-25-15)19(2,3)28)18(27)16-6-5-10-24-17(16)29-13-20(21,22)23/h5-8,10,12,28H,4,9,11,13H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370865
PNG
(2-cyclopropyl-N-ethyl-N-{2-[5-(1- hydroxy-1-methyl...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1ccc(OC)nc1C1CC1
Show InChI InChI=1S/C22H29N3O3/c1-5-25(13-12-17-9-8-16(14-23-17)22(2,3)27)21(26)18-10-11-19(28-4)24-20(18)15-6-7-15/h8-11,14-15,27H,5-7,12-13H2,1-4H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370820
PNG
(US10239838, Example 5)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1cccnc1OC(C)C
Show InChI InChI=1S/C21H29N3O3/c1-6-24(14-12-16-9-7-11-18(23-16)21(4,5)26)20(25)17-10-8-13-22-19(17)27-15(2)3/h7-11,13,15,26H,6,12,14H2,1-5H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370822
PNG
(2-(difluoromethoxy)-N-ethyl-N-{2- [6-(1-hydroxy-1-...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1OC(F)F
Show InChI InChI=1S/C20H24F2N2O3/c1-4-24(13-12-14-8-7-11-17(23-14)20(2,3)26)18(25)15-9-5-6-10-16(15)27-19(21)22/h5-11,19,26H,4,12-13H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370823
PNG
(N-ethyl-N-{2-[6-(1-hydroxy-1- methylethyl)pyridin-...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C20H23F3N2O3/c1-4-25(13-12-14-8-7-11-17(24-14)19(2,3)27)18(26)15-9-5-6-10-16(15)28-20(21,22)23/h5-11,27H,4,12-13H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370826
PNG
(2-ethoxy-N-ethyl-N-{2-[6-(1- hydroxy-1-methylethyl...)
Show SMILES CCOc1ccccc1C(=O)N(CC)CCc1cccc(n1)C(C)(C)O
Show InChI InChI=1S/C21H28N2O3/c1-5-23(20(24)17-11-7-8-12-18(17)26-6-2)15-14-16-10-9-13-19(22-16)21(3,4)25/h7-13,25H,5-6,14-15H2,1-4H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370827
PNG
(N-ethyl-N-{2-[6-(1-hydroxy-1- methylethyl)pyridin-...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1-n1cccn1
Show InChI InChI=1S/C22H26N4O2/c1-4-25(16-13-17-9-7-12-20(24-17)22(2,3)28)21(27)18-10-5-6-11-19(18)26-15-8-14-23-26/h5-12,14-15,28H,4,13,16H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370831
PNG
(N-ethyl-N-(2-(6-(2-hydroxypropan-2- yl)pyridin-2-y...)
Show SMILES CCCc1ccccc1C(=O)N(CC)CCc1cccc(n1)C(C)(C)O
Show InChI InChI=1S/C22H30N2O2/c1-5-10-17-11-7-8-13-19(17)21(25)24(6-2)16-15-18-12-9-14-20(23-18)22(3,4)26/h7-9,11-14,26H,5-6,10,15-16H2,1-4H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370837
PNG
(N-ethyl-N-(2-(6-(2-hydroxypropan-2- yl)pyridin-2-y...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1cccnc1-n1cccn1
Show InChI InChI=1S/C21H25N5O2/c1-4-25(15-11-16-8-5-10-18(24-16)21(2,3)28)20(27)17-9-6-12-22-19(17)26-14-7-13-23-26/h5-10,12-14,28H,4,11,15H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370846
PNG
(US10239838, Example 38)
Show SMILES CCN(CCc1cncc(Br)c1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C18H18BrN5O/c1-2-23(10-7-14-11-15(19)13-20-12-14)18(25)16-5-3-4-6-17(16)24-21-8-9-22-24/h3-6,8-9,11-13H,2,7,10H2,1H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370870
PNG
(2-(2,2-difluoroethoxy)-N-ethyl-N- {2-[5-(1-hydroxy...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1cccnc1OCC(F)F
Show InChI InChI=1S/C20H25F2N3O3/c1-4-25(11-9-15-8-7-14(12-24-15)20(2,3)27)19(26)16-6-5-10-23-18(16)28-13-17(21)22/h5-8,10,12,17,27H,4,9,11,13H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370851
PNG
(US10239838, Example 44)
Show SMILES CCN(CCc1nccc(n1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H24N6O2/c1-4-25(14-10-18-21-11-9-17(24-18)20(2,3)28)19(27)15-7-5-6-8-16(15)26-22-12-13-23-26/h5-9,11-13,28H,4,10,14H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370856
PNG
(N-ethyl-N-{2-[5-(1-hydroxy-1- methylethyl)pyridin-...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C20H23F3N2O3/c1-4-25(12-11-15-10-9-14(13-24-15)19(2,3)27)18(26)16-7-5-6-8-17(16)28-20(21,22)23/h5-10,13,27H,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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370863
PNG
(2-ethoxy-N-ethyl-N-{2-[5-(1- hydroxy-1-methylethyl...)
Show SMILES CCOc1ccccc1C(=O)N(CC)CCc1ccc(cn1)C(C)(C)O
Show InChI InChI=1S/C21H28N2O3/c1-5-23(20(24)18-9-7-8-10-19(18)26-6-2)14-13-17-12-11-16(15-22-17)21(3,4)25/h7-12,15,25H,5-6,13-14H2,1-4H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370867
PNG
(N-ethyl-4-fluoro-N-{2-[5-(1- hydroxy-1-methylethyl...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1ccc(F)cc1-n1nccn1
Show InChI InChI=1S/C21H24FN5O2/c1-4-26(12-9-17-7-5-15(14-23-17)21(2,3)29)20(28)18-8-6-16(22)13-19(18)27-24-10-11-25-27/h5-8,10-11,13-14,29H,4,9,12H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370818
PNG
(US10239838, Example 1)
Show SMILES CCN(CCc1cc(ccn1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H25N5O2/c1-4-25(14-10-17-15-16(9-11-22-17)21(2,3)28)20(27)18-7-5-6-8-19(18)26-23-12-13-24-26/h5-9,11-13,15,28H,4,10,14H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370824
PNG
(2-(2,2-difluoroethoxy)-N-ethyl-N-{2- [6-(1-hydroxy...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1cccnc1OCC(F)F
Show InChI InChI=1S/C20H25F2N3O3/c1-4-25(12-10-14-7-5-9-16(24-14)20(2,3)27)19(26)15-8-6-11-23-18(15)28-13-17(21)22/h5-9,11,17,27H,4,10,12-13H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370840
PNG
(N-ethyl-N-(2-(6-(2-hydroxypropan-2- yl)pyridin-2-y...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1N1CCCC1
Show InChI InChI=1S/C23H31N3O2/c1-4-25(17-14-18-10-9-13-21(24-18)23(2,3)28)22(27)19-11-5-6-12-20(19)26-15-7-8-16-26/h5-6,9-13,28H,4,7-8,14-17H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370855
PNG
(US10239838, Example 49)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1cccnc1-n1cccn1
Show InChI InChI=1S/C21H25N5O2/c1-4-25(14-10-17-9-8-16(15-23-17)21(2,3)28)20(27)18-7-5-11-22-19(18)26-13-6-12-24-26/h5-9,11-13,15,28H,4,10,14H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370866
PNG
(2-cyclopropyl-N-ethyl-N-{2-[5-(1- hydroxy-1-methyl...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1ccccc1C1CC1
Show InChI InChI=1S/C22H28N2O2/c1-4-24(14-13-18-12-11-17(15-23-18)22(2,3)26)21(25)20-8-6-5-7-19(20)16-9-10-16/h5-8,11-12,15-16,26H,4,9-10,13-14H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370868
PNG
(2-cyclobutyl-N-ethyl-N-{2-[5-(1- hydroxy-1-methyle...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1ccccc1C1CCC1
Show InChI InChI=1S/C23H30N2O2/c1-4-25(15-14-19-13-12-18(16-24-19)23(2,3)27)22(26)21-11-6-5-10-20(21)17-8-7-9-17/h5-6,10-13,16-17,27H,4,7-9,14-15H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370869
PNG
(2-(2,2-difluorocyclopropyl)-N- ethyl-N-{2-[5-(1-hy...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1ccccc1C1CC1(F)F
Show InChI InChI=1S/C22H26F2N2O2/c1-4-26(12-11-16-10-9-15(14-25-16)21(2,3)28)20(27)18-8-6-5-7-17(18)19-13-22(19,23)24/h5-10,14,19,28H,4,11-13H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370828
PNG
(N-ethyl-4-fluoro-N-{2-[6-(1- hydroxy-1-methylethyl...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccc(F)cc1-n1nccn1
Show InChI InChI=1S/C21H24FN5O2/c1-4-26(13-10-16-6-5-7-19(25-16)21(2,3)29)20(28)17-9-8-15(22)14-18(17)27-23-11-12-24-27/h5-9,11-12,14,29H,4,10,13H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370839
PNG
(N-ethyl-N-(2-(6-(2-hydroxypropan-2- yl)pyridin-2-y...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ncccc1-c1ccccc1
Show InChI InChI=1S/C24H27N3O2/c1-4-27(17-15-19-12-8-14-21(26-19)24(2,3)29)23(28)22-20(13-9-16-25-22)18-10-6-5-7-11-18/h5-14,16,29H,4,15,17H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370858
PNG
(N-ethyl-N-{2-[5-(1-hydroxy-1- methylethyl)pyridin-...)
Show SMILES CCCc1ccccc1C(=O)N(CC)CCc1ccc(cn1)C(C)(C)O
Show InChI InChI=1S/C22H30N2O2/c1-5-9-17-10-7-8-11-20(17)21(25)24(6-2)15-14-19-13-12-18(16-23-19)22(3,4)26/h7-8,10-13,16,26H,5-6,9,14-15H2,1-4H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370859
PNG
(N-ethyl-N-{2-[5-(1-hydroxy-1- methylethyl)pyridin-...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1ccccc1-n1cccn1
Show InChI InChI=1S/C22H26N4O2/c1-4-25(15-12-18-11-10-17(16-23-18)22(2,3)28)21(27)19-8-5-6-9-20(19)26-14-7-13-24-26/h5-11,13-14,16,28H,4,12,15H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370860
PNG
(N-ethyl-N-{2-[5-(1-hydroxy-1- methylethyl)pyridin-...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1ccccc1CC(F)(F)F
Show InChI InChI=1S/C21H25F3N2O2/c1-4-26(12-11-17-10-9-16(14-25-17)20(2,3)28)19(27)18-8-6-5-7-15(18)13-21(22,23)24/h5-10,14,28H,4,11-13H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370861
PNG
(N-ethyl-N-{2-[5-(1-hydroxy-1- methylethyl)pyridin-...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1ccccc1-n1ncnn1
Show InChI InChI=1S/C20H24N6O2/c1-4-25(12-11-16-10-9-15(13-21-16)20(2,3)28)19(27)17-7-5-6-8-18(17)26-23-14-22-24-26/h5-10,13-14,28H,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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370864
PNG
(N-ethyl-N-{2-[5-(1-hydroxy-1- methylethyl)pyridin-...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1cccnc1-c1ccccc1
Show InChI InChI=1S/C24H27N3O2/c1-4-27(16-14-20-13-12-19(17-26-20)24(2,3)29)23(28)21-11-8-15-25-22(21)18-9-6-5-7-10-18/h5-13,15,17,29H,4,14,16H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370821
PNG
(2-ethoxy-N-ethyl-N-{2-[6-(1- hydroxy-1-methylethyl...)
Show SMILES CCOc1ncccc1C(=O)N(CC)CCc1cccc(n1)C(C)(C)O
Show InChI InChI=1S/C20H27N3O3/c1-5-23(19(24)16-10-8-13-21-18(16)26-6-2)14-12-15-9-7-11-17(22-15)20(3,4)25/h7-11,13,25H,5-6,12,14H2,1-4H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370833
PNG
(N-ethyl-N-(2-(6-(2-hydroxypropan-2- yl)pyridin-2-y...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1CC(F)(F)F
Show InChI InChI=1S/C21H25F3N2O2/c1-4-26(13-12-16-9-7-11-18(25-16)20(2,3)28)19(27)17-10-6-5-8-15(17)14-21(22,23)24/h5-11,28H,4,12-14H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370836
PNG
(2-(2,2-difluoroethyl)-N-ethyl-N-(2- (6-(2-hydroxyp...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1CC(F)F
Show InChI InChI=1S/C21H26F2N2O2/c1-4-25(13-12-16-9-7-11-18(24-16)21(2,3)27)20(26)17-10-6-5-8-15(17)14-19(22)23/h5-11,19,27H,4,12-14H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370845
PNG
(US10239838, Example 37)
Show SMILES CCN(CCc1ccnc(c1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H25N5O2/c1-4-25(14-10-16-9-11-22-19(15-16)21(2,3)28)20(27)17-7-5-6-8-18(17)26-23-12-13-24-26/h5-9,11-13,15,28H,4,10,14H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370848
PNG
(US10239838, Example 40)
Show SMILES CCN(CCc1ccnc(n1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H24N6O2/c1-4-25(14-10-15-9-11-21-19(24-15)20(2,3)28)18(27)16-7-5-6-8-17(16)26-22-12-13-23-26/h5-9,11-13,28H,4,10,14H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370825
PNG
(N-ethyl-N-{2-[6-(1-hydroxy-1- methylethyl)pyridin-...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1cccnc1OCC(F)(F)F
Show InChI InChI=1S/C20H24F3N3O3/c1-4-26(12-10-14-7-5-9-16(25-14)19(2,3)28)18(27)15-8-6-11-24-17(15)29-13-20(21,22)23/h5-9,11,28H,4,10,12-13H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370841
PNG
(N-ethyl-N-(2-(6-(2-hydroxypropan-2- yl)pyridin-2-y...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1-n1ncnn1
Show InChI InChI=1S/C20H24N6O2/c1-4-25(13-12-15-8-7-11-18(23-15)20(2,3)28)19(27)16-9-5-6-10-17(16)26-22-14-21-24-26/h5-11,14,28H,4,12-13H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370847
PNG
(US10239838, Example 39)
Show SMILES CCN(CCc1cncc(n1)C(C)(C)O)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H24N6O2/c1-4-25(12-9-15-13-21-14-18(24-15)20(2,3)28)19(27)16-7-5-6-8-17(16)26-22-10-11-23-26/h5-8,10-11,13-14,28H,4,9,12H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370852
PNG
(US10239838, Example 46)
Show SMILES CCN(CCc1cnc(Br)cn1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C17H17BrN6O/c1-2-23(10-7-13-11-20-16(18)12-19-13)17(25)14-5-3-4-6-15(14)24-21-8-9-22-24/h3-6,8-9,11-12H,2,7,10H2,1H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370857
PNG
(N-ethyl-N-{2-[5-(1-hydroxy-1- methylethyl)pyridin-...)
Show SMILES CCN(CCc1ccc(cn1)C(C)(C)O)C(=O)c1ccccc1N1CCCC1
Show InChI InChI=1S/C23H31N3O2/c1-4-25(16-13-19-12-11-18(17-24-19)23(2,3)28)22(27)20-9-5-6-10-21(20)26-14-7-8-15-26/h5-6,9-12,17,28H,4,7-8,13-16H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370830
PNG
(2-cyclopropyl-N-ethyl-N-{2-[6-(1- hydroxy-1-methyl...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1C1CC1
Show InChI InChI=1S/C22H28N2O2/c1-4-24(15-14-17-8-7-11-20(23-17)22(2,3)26)21(25)19-10-6-5-9-18(19)16-12-13-16/h5-11,16,26H,4,12-15H2,1-3H3
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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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370832
PNG
(N-ethyl-N-(2-(6-(2-hydroxypropan-2- yl)pyridin-2-y...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C21H25F3N2O3/c1-4-26(13-12-15-8-7-11-18(25-15)20(2,3)28)19(27)16-9-5-6-10-17(16)29-14-21(22,23)24/h5-11,28H,4,12-14H2,1-3H3
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM370835
PNG
(2-(2,2-difluoroethoxy)-N-ethyl-N-(2- (6-(2-hydroxy...)
Show SMILES CCN(CCc1cccc(n1)C(C)(C)O)C(=O)c1ccccc1OCC(F)F
Show InChI InChI=1S/C21H26F2N2O3/c1-4-25(13-12-15-8-7-11-18(24-15)21(2,3)27)20(26)16-9-5-6-10-17(16)28-14-19(22)23/h5-11,19,27H,4,12-14H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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 US10239838 (2019)


BindingDB Entry DOI: 10.7270/Q298899Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%