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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)

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)

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=1/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)

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)

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)

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)

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)

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)

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)

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)

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)

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=1/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)

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)

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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n/an/a 50n/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)

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)

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)

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)

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)

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)

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)

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
PDB

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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)

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
PDB

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n/an/a 74n/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)

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
PDB

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n/an/a 76n/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)

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
PDB

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n/an/a 76n/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)

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)

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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n/an/a 88n/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)

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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n/an/a 95n/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)

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)

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)

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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n/an/a 112n/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)

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)

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)

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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n/an/a 136n/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)

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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n/an/a 142n/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)

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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n/an/a 146n/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)

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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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 US10239838 (2019)

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
PDB

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n/an/a 165n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US10239838 (2019)

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
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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)

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
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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)

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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n/an/a 196n/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)

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)

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)

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
PDB

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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)

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
PDB

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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)

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
PDB

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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)

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)

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
PDB

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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)

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
PDB

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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)

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
PDB

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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)

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)

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
PDB

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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)

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
PDB

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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)

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
PDB

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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)

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
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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)

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
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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)

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
PDB

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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)

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)

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)

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)

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=1/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)

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)

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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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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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)

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
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)

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
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)

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=1/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
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)

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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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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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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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)

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

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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)

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