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Patent code US10017504

Compile Data Set for Download or QSAR
Found 140 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))
BDBM404296
PNG
(1-[2-({(2R,5R)-5-[3-(1-Hydroxy- 1-methylethyl)isox...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C23H27N3O3/c1-15-8-9-16(19-12-20(25-29-19)22(2,3)28)13-26(15)21(27)17-6-4-5-7-18(17)23(14-24)10-11-23/h4-7,12,15-16,28H,8-11,13H2,1-3H3/t15-,16-/m1/s1
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n/an/a 8.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404309
PNG
(((1R)-2,2,2-Trifluoro-1-{5-[(3R,6R)-6-methyl-1-{[2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(no1)[C@@H](O)C(F)(F)F
Show InChI InChI=1S/C20H20F3N5O3/c1-12-6-7-13(17-10-15(26-31-17)18(29)20(21,22)23)11-27(12)19(30)14-4-2-3-5-16(14)28-24-8-9-25-28/h2-5,8-10,12-13,18,29H,6-7,11H2,1H3/t12-,13-,18-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404327
PNG
(2-{3-[(3R,6R)-6-Methyl-1-{[2-(2H-1,2,3-triazol-2-y...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(sn1)C(C)(C)O
Show InChI InChI=1S/C21H25N5O2S/c1-14-8-9-15(17-12-19(29-24-17)21(2,3)28)13-25(14)20(27)16-6-4-5-7-18(16)26-22-10-11-23-26/h4-7,10-12,14-15,28H,8-9,13H2,1-3H3/t14-,15-/m1/s1
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n/an/a 13.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404326
PNG
(((2R,5R)-5-[3-(1-Methoxy-1-methylethyl)isoxazol-5-...)
Show SMILES COC(C)(C)c1cc(on1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H27N5O3/c1-15-9-10-16(19-13-20(25-30-19)22(2,3)29-4)14-26(15)21(28)17-7-5-6-8-18(17)27-23-11-12-24-27/h5-8,11-13,15-16H,9-10,14H2,1-4H3/t15-,16-/m1/s1
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n/an/a 14.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404279
PNG
(US10017504, 12)
Show SMILES CC[C@](C)(O)c1cc(no1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H27N5O3/c1-4-22(3,29)20-13-18(25-30-20)16-10-9-15(2)26(14-16)21(28)17-7-5-6-8-19(17)27-23-11-12-24-27/h5-8,11-13,15-16,29H,4,9-10,14H2,1-3H3/t15-,16-,22+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404274
PNG
(US10017504, 10 | US10017504, 9)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(on1)C(C)(O)C1CC1
Show InChI InChI=1S/C23H27N5O3/c1-15-7-8-16(19-13-21(31-26-19)23(2,30)17-9-10-17)14-27(15)22(29)18-5-3-4-6-20(18)28-24-11-12-25-28/h3-6,11-13,15-17,30H,7-10,14H2,1-2H3/t15-,16-,23?/m1/s1
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n/an/a 15.6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404310
PNG
(US10017504, 41)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(no1)[C@H](O)C(F)(F)F
Show InChI InChI=1S/C20H20F3N5O3/c1-12-6-7-13(17-10-15(26-31-17)18(29)20(21,22)23)11-27(12)19(30)14-4-2-3-5-16(14)28-24-8-9-25-28/h2-5,8-10,12-13,18,29H,6-7,11H2,1H3/t12-,13-,18+/m1/s1
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n/an/a 17.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404330
PNG
(2-{3-[(3R,6R)-1-{[4-Fluoro-2-(2H-1,2,3- triazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-n1nccn1)c1cc(sn1)C(C)(C)O
Show InChI InChI=1S/C21H24FN5O2S/c1-13-4-5-14(17-11-19(30-25-17)21(2,3)29)12-26(13)20(28)16-7-6-15(22)10-18(16)27-23-8-9-24-27/h6-11,13-14,29H,4-5,12H2,1-3H3/t13-,14-/m1/s1
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n/an/a 18.6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404331
PNG
(1-[2-({(2R,5R)-5-[5-(1-Hydroxy-1- methylethyl)isot...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)c1cc(sn1)C(C)(C)O
Show InChI InChI=1S/C23H27N3O2S/c1-15-8-9-16(19-12-20(29-25-19)22(2,3)28)13-26(15)21(27)17-6-4-5-7-18(17)23(14-24)10-11-23/h4-7,12,15-16,28H,8-11,13H2,1-3H3/t15-,16-/m1/s1
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n/an/a 19.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404335
PNG
(2-{3-[(3R,6R)-6-Methyl-1-{[4-(2H-1,2,3- triazol-2-...)
Show SMILES CC(C)(O)c1cc(ns1)[C@@H]1CCCN(C1)C(=O)c1cscc1-n1nccn1
Show InChI InChI=1S/C18H21N5O2S2/c1-18(2,25)16-8-14(21-27-16)12-4-3-7-22(9-12)17(24)13-10-26-11-15(13)23-19-5-6-20-23/h5-6,8,10-12,25H,3-4,7,9H2,1-2H3/t12-/m1/s1
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n/an/a 21.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404337
PNG
(2-{3-[(3R,6R)-6-Methyl-1-{[2- (trifluoromethoxy)ph...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1OCC(F)(F)F)c1cc(sn1)C(C)(C)O
Show InChI InChI=1S/C20H24F3N3O3S/c1-12-6-7-13(15-9-16(30-25-15)19(2,3)28)10-26(12)18(27)14-5-4-8-24-17(14)29-11-20(21,22)23/h4-5,8-9,12-13,28H,6-7,10-11H2,1-3H3/t12-,13-/m1/s1
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n/an/a 22.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404293
PNG
(2-{5-[(3R,6R)-1-(Biphenyl-2- ylcarbonyl)-6-methylp...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ccccc1)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C25H28N2O3/c1-17-13-14-19(22-15-23(26-30-22)25(2,3)29)16-27(17)24(28)21-12-8-7-11-20(21)18-9-5-4-6-10-18/h4-12,15,17,19,29H,13-14,16H2,1-3H3/t17-,19-/m1/s1
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n/an/a 22.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404283
PNG
(US10017504, 16)
Show SMILES CC(C)C(C)(O)c1cc(no1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H29N5O3/c1-15(2)23(4,30)21-13-19(26-31-21)17-10-9-16(3)27(14-17)22(29)18-7-5-6-8-20(18)28-24-11-12-25-28/h5-8,11-13,15-17,30H,9-10,14H2,1-4H3/t16-,17-,23?/m1/s1
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n/an/a 24.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404340
PNG
(US10017504, 17)
Show SMILES CC(C)C(C)(O)c1cc(no1)[C@H]1CC[C@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H29N5O3/c1-15(2)23(4,30)21-13-19(26-31-21)17-10-9-16(3)27(14-17)22(29)18-7-5-6-8-20(18)28-24-11-12-25-28/h5-8,11-13,15-17,30H,9-10,14H2,1-4H3/t16-,17-,23?/m0/s1
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n/an/a 24.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404328
PNG
((2-{3-[(3R,6R)-6-Methyl-1-{[2-(2H-1,2,3-triazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-n1nccn1)c1cc(sn1)C(C)(C)O
Show InChI InChI=1S/C19H23N5O2S2/c1-12-4-5-13(15-10-16(28-22-15)19(2,3)26)11-23(12)17(25)14-6-9-27-18(14)24-20-7-8-21-24/h6-10,12-13,26H,4-5,11H2,1-3H3/t12-,13-/m1/s1
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n/an/a 24.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404274
PNG
(US10017504, 10 | US10017504, 9)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(on1)C(C)(O)C1CC1
Show InChI InChI=1S/C23H27N5O3/c1-15-7-8-16(19-13-21(31-26-19)23(2,30)17-9-10-17)14-27(15)22(29)18-5-3-4-6-20(18)28-24-11-12-25-28/h3-6,11-13,15-17,30H,7-10,14H2,1-2H3/t15-,16-,23?/m1/s1
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n/an/a 25.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404313
PNG
(1-(2-{[(2R,5R)-2-Methyl-5-{3-[(1R)- 2,2,2-Trifluor...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)c1cc(no1)[C@@H](O)C(F)(F)F
Show InChI InChI=1S/C22H22F3N3O3/c1-13-6-7-14(18-10-17(27-31-18)19(29)22(23,24)25)11-28(13)20(30)15-4-2-3-5-16(15)21(12-26)8-9-21/h2-5,10,13-14,19,29H,6-9,11H2,1H3/t13-,14-,19-/m1/s1
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n/an/a 26.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404285
PNG
(((2R,5R)-5-[5-(1-Methoxy-1-methylethyl)isoxazol-3-...)
Show SMILES COC(C)(C)c1cc(no1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H27N5O3/c1-15-9-10-16(18-13-20(30-25-18)22(2,3)29-4)14-26(15)21(28)17-7-5-6-8-19(17)27-23-11-12-24-27/h5-8,11-13,15-16H,9-10,14H2,1-4H3/t15-,16-/m1/s1
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n/an/a 27.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404286
PNG
((2-{5-[(3R,6R)-6-Methyl-1-{[2-(2H-1,2,3-triazol-2-...)
Show SMILES CCOC(=O)c1cc(on1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H23N5O4/c1-3-29-21(28)17-12-19(30-24-17)15-9-8-14(2)25(13-15)20(27)16-6-4-5-7-18(16)26-22-10-11-23-26/h4-7,10-12,14-15H,3,8-9,13H2,1-2H3/t14-,15-/m1/s1
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n/an/a 30.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404282
PNG
(US10017504, 15)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(on1)C(C)(O)C(F)(F)F
Show InChI InChI=1S/C21H22F3N5O3/c1-13-7-8-14(16-11-18(32-27-16)20(2,31)21(22,23)24)12-28(13)19(30)15-5-3-4-6-17(15)29-25-9-10-26-29/h3-6,9-11,13-14,31H,7-8,12H2,1-2H3/t13-,14+,20?/m0/s1
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n/an/a 33.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404322
PNG
(1-cyclopropyl-1-{5-[(3R,6R)-6-methyl-1-{[2-(2H-1,2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(no1)C(C)(O)C1CC1
Show InChI InChI=1S/C23H27N5O3/c1-15-7-8-16(20-13-21(26-31-20)23(2,30)17-9-10-17)14-27(15)22(29)18-5-3-4-6-19(18)28-24-11-12-25-28/h3-6,11-13,15-17,30H,7-10,14H2,1-2H3/t15-,16-,23?/m1/s1
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n/an/a 34.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404281
PNG
(US10017504, 14)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(on1)C(C)(O)C(F)(F)F
Show InChI InChI=1S/C21H22F3N5O3/c1-13-7-8-14(16-11-18(32-27-16)20(2,31)21(22,23)24)12-28(13)19(30)15-5-3-4-6-17(15)29-25-9-10-26-29/h3-6,9-11,13-14,31H,7-8,12H2,1-2H3/t13-,14-,20?/m1/s1
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n/an/a 34.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404333
PNG
((2-(3-{(3R,6R)-6-Methyl-1-[(2-pyrimidin-2-ylthioph...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)c1cc(sn1)C(C)(C)O
Show InChI InChI=1S/C21H24N4O2S2/c1-13-5-6-14(16-11-17(29-24-16)21(2,3)27)12-25(13)20(26)15-7-10-28-18(15)19-22-8-4-9-23-19/h4,7-11,13-14,27H,5-6,12H2,1-3H3/t13-,14-/m1/s1
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n/an/a 36.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404323
PNG
(2-{5-[(3R,6R)-6-Methyl-1- {[2-(2H-1,2,3- triazol-2...)
Show SMILES CCC(C)(O)c1cc(on1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H27N5O3/c1-4-22(3,29)20-13-19(30-25-20)16-10-9-15(2)26(14-16)21(28)17-7-5-6-8-18(17)27-23-11-12-24-27/h5-8,11-13,15-16,29H,4,9-10,14H2,1-3H3/t15-,16-,22?/m1/s1
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n/an/a 39.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404314
PNG
(1-(2-{[(2R,5R)-2-Methyl-5-{3-[(1S)- 2,2,2-trifluor...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)c1cc(no1)[C@H](O)C(F)(F)F
Show InChI InChI=1S/C22H22F3N3O3/c1-13-6-7-14(18-10-17(27-31-18)19(29)22(23,24)25)11-28(13)20(30)15-4-2-3-5-16(15)21(12-26)8-9-21/h2-5,10,13-14,19,29H,6-9,11H2,1H3/t13-,14-,19+/m1/s1
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n/an/a 41.2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404278
PNG
(US10017504, 11)
Show SMILES CC[C@@](C)(O)c1cc(no1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H27N5O3/c1-4-22(3,29)20-13-18(25-30-20)16-10-9-15(2)26(14-16)21(28)17-7-5-6-8-19(17)27-23-11-12-24-27/h5-8,11-13,15-16,29H,4,9-10,14H2,1-3H3/t15-,16-,22-/m1/s1
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n/an/a 41.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404332
PNG
(2-(3-{(3R,6R)-6-Methyl-1-[(2-pyrimidin-2- ylphenyl...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ncccn1)c1cc(sn1)C(C)(C)O
Show InChI InChI=1S/C23H26N4O2S/c1-15-9-10-16(19-13-20(30-26-19)23(2,3)29)14-27(15)22(28)18-8-5-4-7-17(18)21-24-11-6-12-25-21/h4-8,11-13,15-16,29H,9-10,14H2,1-3H3/t15-,16-/m1/s1
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n/an/a 42.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404308
PNG
((2-{5-[(3R,6R)-6-Ethyl-1-{[2-(2H-1,2,3-triazol-2-y...)
Show SMILES CC[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C22H27N5O3/c1-4-16-10-9-15(19-13-20(25-30-19)22(2,3)29)14-26(16)21(28)17-7-5-6-8-18(17)27-23-11-12-24-27/h5-8,11-13,15-16,29H,4,9-10,14H2,1-3H3/t15-,16-/m1/s1
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n/an/a 42.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404338
PNG
(2-{3-[(3R,6R)-1-{[2-(2,2- Difluoroethoxy)pyridin-3...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1OCC(F)F)c1cc(sn1)C(C)(C)O
Show InChI InChI=1S/C20H25F2N3O3S/c1-12-6-7-13(15-9-16(29-24-15)20(2,3)27)10-25(12)19(26)14-5-4-8-23-18(14)28-11-17(21)22/h4-5,8-9,12-13,17,27H,6-7,10-11H2,1-3H3/t12-,13-/m1/s1
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n/an/a 42.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404336
PNG
(Methyl 2-({(2R,5R)-5-[5-(1-hydroxy-1- methylethyl)...)
Show SMILES COC(=O)c1ncccc1C(=O)N1C[C@@H](CC[C@H]1C)c1cc(sn1)C(C)(C)O
Show InChI InChI=1S/C20H25N3O4S/c1-12-7-8-13(15-10-16(28-22-15)20(2,3)26)11-23(12)18(24)14-6-5-9-21-17(14)19(25)27-4/h5-6,9-10,12-13,26H,7-8,11H2,1-4H3/t12-,13-/m1/s1
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n/an/a 43.6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404334
PNG
(2-(3-{(3R,6R)-6-Methyl-1-[(4-pyrimidin-2- ylthioph...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cscc1-c1ncccn1)c1cc(sn1)C(C)(C)O
Show InChI InChI=1S/C21H24N4O2S2/c1-13-5-6-14(17-9-18(29-24-17)21(2,3)27)10-25(13)20(26)16-12-28-11-15(16)19-22-7-4-8-23-19/h4,7-9,11-14,27H,5-6,10H2,1-3H3/t13-,14-/m1/s1
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n/an/a 46.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404256
PNG
((1 2-{3-[(3R,6R)-6-Methyl-1-{[2-(2H-1,2,3-triazol-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(on1)C(C)(C)O
Show InChI InChI=1S/C21H25N5O3/c1-14-8-9-15(17-12-19(29-24-17)21(2,3)28)13-25(14)20(27)16-6-4-5-7-18(16)26-22-10-11-23-26/h4-7,10-12,14-15,28H,8-9,13H2,1-3H3/t14-,15-/m1/s1
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n/an/a 46.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404321
PNG
((1-Cyclopropyl-1-{5-[(3R,6R)-6-methyl-1-{[2-(2H-1,...)
Show SMILES CON(C)C(=O)c1cc(on1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H24N6O4/c1-14-8-9-15(19-12-17(24-31-19)21(29)25(2)30-3)13-26(14)20(28)16-6-4-5-7-18(16)27-22-10-11-23-27/h4-7,10-12,14-15H,8-9,13H2,1-3H3/t14-,15-/m1/s1
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n/an/a 47.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404289
PNG
(2-(5-{(3R,6R)-6-Methyl-1-[(2- pyrimidin-2- ylpheny...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ncccn1)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C23H26N4O3/c1-15-9-10-16(19-13-20(26-30-19)23(2,3)29)14-27(15)22(28)18-8-5-4-7-17(18)21-24-11-6-12-25-21/h4-8,11-13,15-16,29H,9-10,14H2,1-3H3/t15-,16-/m1/s1
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n/an/a 51.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404307
PNG
(2-{5-[(3R,6R)-1-{[2-(2,2- Difluorocyclopropyl)phen...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1CC1(F)F)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C22H26F2N2O3/c1-13-8-9-14(18-10-19(25-29-18)21(2,3)28)12-26(13)20(27)16-7-5-4-6-15(16)17-11-22(17,23)24/h4-7,10,13-14,17,28H,8-9,11-12H2,1-3H3/t13-,14-,17?/m1/s1
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n/an/a 52.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404329
PNG
(2-{3-[(3R,6R)-6-Methyl-1-{[2-(2H-tetrazol- 2-yl)ph...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)c1cc(sn1)C(C)(C)O
Show InChI InChI=1S/C20H24N6O2S/c1-13-8-9-14(16-10-18(29-23-16)20(2,3)28)11-25(13)19(27)15-6-4-5-7-17(15)26-22-12-21-24-26/h4-7,10,12-14,28H,8-9,11H2,1-3H3/t13-,14-/m1/s1
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n/an/a 63.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404323
PNG
(2-{5-[(3R,6R)-6-Methyl-1- {[2-(2H-1,2,3- triazol-2...)
Show SMILES CCC(C)(O)c1cc(on1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H27N5O3/c1-4-22(3,29)20-13-19(30-25-20)16-10-9-15(2)26(14-16)21(28)17-7-5-6-8-18(17)27-23-11-12-24-27/h5-8,11-13,15-16,29H,4,9-10,14H2,1-3H3/t15-,16-,22?/m1/s1
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n/an/a 76.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404284
PNG
(((2S)-1,1-Difluoro-2-{3-[(3R,6R)-6-methyl-1-{[2-(2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(on1)[C@](C)(O)C(F)F
Show InChI InChI=1S/C21H23F2N5O3/c1-13-7-8-14(16-11-18(31-26-16)21(2,30)20(22)23)12-27(13)19(29)15-5-3-4-6-17(15)28-24-9-10-25-28/h3-6,9-11,13-14,20,30H,7-8,12H2,1-2H3/t13-,14-,21+/m1/s1
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US Patent
n/an/a 92n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404257
PNG
((1-(2-((2R,5R)-5-(5-(2-Hydroxypropan-2-yl)isoxazol...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)c1cc(on1)C(C)(C)O
Show InChI InChI=1S/C23H27N3O3/c1-15-8-9-16(19-12-20(29-25-19)22(2,3)28)13-26(15)21(27)17-6-4-5-7-18(17)23(14-24)10-11-23/h4-7,12,15-16,28H,8-11,13H2,1-3H3/t15-,16-/m1/s1
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US Patent
n/an/a 104n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404319
PNG
(((1R)-2,2,2-Trifluoro-1-(5-{(3R,6R)-6-methyl-1-[(2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ncccn1)c1cc(no1)[C@H](O)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O3/c1-13-7-8-14(18-11-17(28-32-18)19(30)22(23,24)25)12-29(13)21(31)16-6-3-2-5-15(16)20-26-9-4-10-27-20/h2-6,9-11,13-14,19,30H,7-8,12H2,1H3/t13-,14-,19+/m1/s1
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US Patent
n/an/a 110n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404318
PNG
((1R)-2,2,2-trifluoro-1-(5-{(3R,6R)-6-methyl-1-[(2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)c1cc(no1)[C@@H](O)C(F)(F)F
Show InChI InChI=1S/C20H19F3N4O3S/c1-11-3-4-12(15-9-14(26-30-15)17(28)20(21,22)23)10-27(11)19(29)13-5-8-31-16(13)18-24-6-2-7-25-18/h2,5-9,11-12,17,28H,3-4,10H2,1H3/t11-,12-,17-/m1/s1
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n/an/a 112n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404317
PNG
(((1S)-2,2,2-Trifluoro-1-(5-{(3R,6R)-6-methyl-1-[(2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)c1cc(no1)[C@@H](O)C(F)(F)F
Show InChI InChI=1S/C20H19F3N4O3S/c1-11-3-4-12(15-9-14(26-30-15)17(28)20(21,22)23)10-27(11)19(29)13-5-8-31-16(13)18-24-6-2-7-25-18/h2,5-9,11-12,17,28H,3-4,10H2,1H3/t11-,12-,17-/m1/s1
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n/an/a 113n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404299
PNG
(2-{5-[(3R,6R)-6-Methyl-1-{[2- (2H-tetrazol-2- yl)p...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C20H24N6O3/c1-13-8-9-14(17-10-18(23-29-17)20(2,3)28)11-25(13)19(27)15-6-4-5-7-16(15)26-22-12-21-24-26/h4-7,10,12-14,28H,8-9,11H2,1-3H3/t13-,14-/m1/s1
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n/an/a 124n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404302
PNG
(2-(5-{(3R,6R)-6-Methyl-1-[(2- phenylpyridin-3- yl)...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1-c1ccccc1)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C24H27N3O3/c1-16-11-12-18(20-14-21(26-30-20)24(2,3)29)15-27(16)23(28)19-10-7-13-25-22(19)17-8-5-4-6-9-17/h4-10,13-14,16,18,29H,11-12,15H2,1-3H3/t16-,18-/m1/s1
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n/an/a 134n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404304
PNG
(2-{5-[(3R,6R)-1-{[2-(2,2- Difluoroethoxy)phenyl]ca...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OCC(F)F)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C21H26F2N2O4/c1-13-8-9-14(17-10-18(24-29-17)21(2,3)27)11-25(13)20(26)15-6-4-5-7-16(15)28-12-19(22)23/h4-7,10,13-14,19,27H,8-9,11-12H2,1-3H3/t13-,14-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404320
PNG
(((1S)-2,2,2-Trifluoro-1-(5-{(3R,6R)-6-methyl-1-[(2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ncccn1)c1cc(no1)[C@H](O)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O3/c1-13-7-8-14(18-11-17(28-32-18)19(30)22(23,24)25)12-29(13)21(31)16-6-3-2-5-15(16)20-26-9-4-10-27-20/h2-6,9-11,13-14,19,30H,7-8,12H2,1H3/t13-,14-,19+/m1/s1
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n/an/a 146n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404311
PNG
(((1R)-2,2,2-Trifluoro-1-{5-[(3R,6R)-6-methyl-1-{[2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-n1nccn1)c1cc(no1)[C@@H](O)C(F)(F)F
Show InChI InChI=1S/C18H18F3N5O3S/c1-10-2-3-11(14-8-13(24-29-14)15(27)18(19,20)21)9-25(10)16(28)12-4-7-30-17(12)26-22-5-6-23-26/h4-8,10-11,15,27H,2-3,9H2,1H3/t10-,11-,15-/m1/s1
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n/an/a 154n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404312
PNG
(US10017504, 43)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-n1nccn1)c1cc(no1)[C@H](O)C(F)(F)F
Show InChI InChI=1S/C18H18F3N5O3S/c1-10-2-3-11(14-8-13(24-29-14)15(27)18(19,20)21)9-25(10)16(28)12-4-7-30-17(12)26-22-5-6-23-26/h4-8,10-11,15,27H,2-3,9H2,1H3/t10-,11-,15+/m1/s1
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n/an/a 162n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404298
PNG
(2-(5-{(3R,6R)-1-[(2- Ethoxyphenyl)carbonyl]-6- met...)
Show SMILES CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C21H28N2O4/c1-5-26-17-9-7-6-8-16(17)20(24)23-13-15(11-10-14(23)2)18-12-19(22-27-18)21(3,4)25/h6-9,12,14-15,25H,5,10-11,13H2,1-4H3/t14-,15-/m1/s1
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n/an/a 178n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404305
PNG
(2-{5-[(3R,6R)-6-Methyl-1-{[2- (2,2,2-trifluoroetho...)
Show SMILES CC(C)(O)c1cc(on1)[C@@H]1CCCN(C1)C(=O)c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C20H23F3N2O4/c1-19(2,27)17-10-16(29-24-17)13-6-5-9-25(11-13)18(26)14-7-3-4-8-15(14)28-12-20(21,22)23/h3-4,7-8,10,13,27H,5-6,9,11-12H2,1-2H3/t13-/m1/s1
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n/an/a 212n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404291
PNG
(2-{5-[(3R,6R)-1-{[5-Fluoro-2- (2H-1,2,3-triazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(F)ccc1-n1nccn1)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C21H24FN5O3/c1-13-4-5-14(18-11-19(25-30-18)21(2,3)29)12-26(13)20(28)16-10-15(22)6-7-17(16)27-23-8-9-24-27/h6-11,13-14,29H,4-5,12H2,1-3H3/t13-,14-/m1/s1
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n/an/a 215n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404268
PNG
(((2R,5R)-5-(5-(2-Hydroxypropan-2- yl)isoxazol-3-yl...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1OCC(F)(F)F)c1cc(on1)C(C)(C)O
Show InChI InChI=1S/C20H24F3N3O4/c1-12-6-7-13(15-9-16(30-25-15)19(2,3)28)10-26(12)18(27)14-5-4-8-24-17(14)29-11-20(21,22)23/h4-5,8-9,12-13,28H,6-7,10-11H2,1-3H3/t12-,13-/m1/s1
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n/an/a 227n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404297
PNG
(Methyl 2-({(2R,5R)-5-[3-(1- hydroxy-1-methylethyl)...)
Show SMILES COC(=O)c1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C21H26N2O5/c1-13-9-10-14(17-11-18(22-28-17)21(2,3)26)12-23(13)19(24)15-7-5-6-8-16(15)20(25)27-4/h5-8,11,13-14,26H,9-10,12H2,1-4H3/t13-,14-/m1/s1
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n/an/a 251n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404303
PNG
(2-(5-{(3R,6R)-6-Methyl-1-[(3- phenylpyridin-2- yl)...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ncccc1-c1ccccc1)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C24H27N3O3/c1-16-11-12-18(20-14-21(26-30-20)24(2,3)29)15-27(16)23(28)22-19(10-7-13-25-22)17-8-5-4-6-9-17/h4-10,13-14,16,18,29H,11-12,15H2,1-3H3/t16-,18-/m1/s1
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n/an/a 264n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404290
PNG
(2-(5-{(3R,6R)-1-[(2- Ethoxypyridin-3-yl)carbonyl]-...)
Show SMILES CCOc1ncccc1C(=O)N1C[C@@H](CC[C@H]1C)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C20H27N3O4/c1-5-26-18-15(7-6-10-21-18)19(24)23-12-14(9-8-13(23)2)16-11-17(22-27-16)20(3,4)25/h6-7,10-11,13-14,25H,5,8-9,12H2,1-4H3/t13-,14-/m1/s1
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n/an/a 268n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404264
PNG
((5-Fluoro-2-(2H-1,2,3-triazol-2- yl)phenyl)((2R,5R...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(F)ccc1-n1nccn1)c1cc(on1)C(C)(C)O
Show InChI InChI=1S/C21H24FN5O3/c1-13-4-5-14(17-11-19(30-25-17)21(2,3)29)12-26(13)20(28)16-10-15(22)6-7-18(16)27-23-8-9-24-27/h6-11,13-14,29H,4-5,12H2,1-3H3/t13-,14-/m1/s1
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n/an/a 278n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404325
PNG
(((2R,5R)-2-Methyl-5-[3-(tetrahydrofuran-2-yl)isoxa...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(no1)C1CCCO1
Show InChI InChI=1S/C22H25N5O3/c1-15-8-9-16(21-13-18(25-30-21)20-7-4-12-29-20)14-26(15)22(28)17-5-2-3-6-19(17)27-23-10-11-24-27/h2-3,5-6,10-11,13,15-16,20H,4,7-9,12,14H2,1H3/t15-,16-,20?/m1/s1
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n/an/a 311n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404316
PNG
((1S)-2,2,2-Trifluoro-1-{5-[(3R,6R)-6- methyl-1-{[2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)c1cc(no1)[C@H](O)C(F)(F)F
Show InChI InChI=1S/C19H19F3N6O3/c1-11-6-7-12(16-8-14(25-31-16)17(29)19(20,21)22)9-27(11)18(30)13-4-2-3-5-15(13)28-24-10-23-26-28/h2-5,8,10-12,17,29H,6-7,9H2,1H3/t11-,12-,17+/m1/s1
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n/an/a 328n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404315
PNG
((1R)-2,2,2-Trifluoro-1-{5-[(3R,6R)-6- methyl-1-{[2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)c1cc(no1)[C@@H](O)C(F)(F)F
Show InChI InChI=1S/C19H19F3N6O3/c1-11-6-7-12(16-8-14(25-31-16)17(29)19(20,21)22)9-27(11)18(30)13-4-2-3-5-15(13)28-24-10-23-26-28/h2-5,8,10-12,17,29H,6-7,9H2,1H3/t11-,12-,17-/m1/s1
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n/an/a 356n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404269
PNG
((2-(2H-1,2,3-Triazol-2-yl)phenyl)((2R,5R)-5-(5-(3-...)
Show SMILES CCC(O)(CC)c1cc(no1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H29N5O3/c1-4-23(30,5-2)21-14-19(26-31-21)17-11-10-16(3)27(15-17)22(29)18-8-6-7-9-20(18)28-24-12-13-25-28/h6-9,12-14,16-17,30H,4-5,10-11,15H2,1-3H3/t16-,17-/m1/s1
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n/an/a 552n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404294
PNG
(2-{5-[(3R,6R)-1-{[5-Chloro-2- (2H-1,2,3-triazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(Cl)ccc1-n1nccn1)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C21H24ClN5O3/c1-13-4-5-14(18-11-19(25-30-18)21(2,3)29)12-26(13)20(28)16-10-15(22)6-7-17(16)27-23-8-9-24-27/h6-11,13-14,29H,4-5,12H2,1-3H3/t13-,14-/m1/s1
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n/an/a 604n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404280
PNG
((1-{3-[(3R,6R)-6-Methyl-1-{[2-(2H-1,2,3-triazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(on1)C1(O)CCC1
Show InChI InChI=1S/C22H25N5O3/c1-15-7-8-16(18-13-20(30-25-18)22(29)9-4-10-22)14-26(15)21(28)17-5-2-3-6-19(17)27-23-11-12-24-27/h2-3,5-6,11-13,15-16,29H,4,7-10,14H2,1H3/t15-,16-/m1/s1
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n/an/a 635n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404292
PNG
(2-{5-[(3R,6R)-6-methyl-1-{[3- (1H-pyrazol-1-yl)pyr...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1nccnc1-n1cccn1)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C20H24N6O3/c1-13-5-6-14(15-11-16(24-29-15)20(2,3)28)12-25(13)19(27)17-18(22-9-8-21-17)26-10-4-7-23-26/h4,7-11,13-14,28H,5-6,12H2,1-3H3/t13-,14-/m1/s1
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n/an/a 799n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404339
PNG
(2-{3-[(3R,6R)-1-{[2-(2- methoxyethyl)phenyl]carbon...)
Show SMILES COCCc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1cc(sn1)C(C)(C)O
Show InChI InChI=1S/C22H30N2O3S/c1-15-9-10-17(19-13-20(28-23-19)22(2,3)26)14-24(15)21(25)18-8-6-5-7-16(18)11-12-27-4/h5-8,13,15,17,26H,9-12,14H2,1-4H3/t15-,17-/m1/s1
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n/an/a 935n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404326
PNG
(((2R,5R)-5-[3-(1-Methoxy-1-methylethyl)isoxazol-5-...)
Show SMILES COC(C)(C)c1cc(on1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H27N5O3/c1-15-9-10-16(19-13-20(25-30-19)22(2,3)29-4)14-26(15)21(28)17-7-5-6-8-18(17)27-23-11-12-24-27/h5-8,11-13,15-16H,9-10,14H2,1-4H3/t15-,16-/m1/s1
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n/an/a 1.03E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404306
PNG
(2-(5-{(3R,6R)-6-Methyl-1- [(2-pyrazin-2- ylphenyl)...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1cnccn1)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C23H26N4O3/c1-15-8-9-16(20-12-21(26-30-20)23(2,3)29)14-27(15)22(28)18-7-5-4-6-17(18)19-13-24-10-11-25-19/h4-7,10-13,15-16,29H,8-9,14H2,1-3H3/t15-,16-/m1/s1
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n/an/a 1.03E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404288
PNG
((2-{5-[(3R,6R)-1-{[2-(Methoxymethyl)phenyl]carbony...)
Show SMILES COCc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C21H28N2O4/c1-14-9-10-15(18-11-19(22-27-18)21(2,3)25)12-23(14)20(24)17-8-6-5-7-16(17)13-26-4/h5-8,11,14-15,25H,9-10,12-13H2,1-4H3/t14-,15-/m1/s1
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n/an/a 1.12E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404266
PNG
(((2-Ethoxyphenyl)((2R,5R)-5-(5-(2-hydroxypropan-2-...)
Show SMILES CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1cc(on1)C(C)(C)O
Show InChI InChI=1S/C21H28N2O4/c1-5-26-18-9-7-6-8-16(18)20(24)23-13-15(11-10-14(23)2)17-12-19(27-22-17)21(3,4)25/h6-9,12,14-15,25H,5,10-11,13H2,1-4H3/t14-,15-/m1/s1
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n/an/a 1.19E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404295
PNG
(2-(5-{(3R,6R)-6-Methyl-1-[(3- pyridin-2-ylpyrazin-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1nccnc1-c1ccccn1)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C22H25N5O3/c1-14-7-8-15(17-12-18(26-30-17)22(2,3)29)13-27(14)21(28)20-19(24-10-11-25-20)16-6-4-5-9-23-16/h4-6,9-12,14-15,29H,7-8,13H2,1-3H3/t14-,15-/m1/s1
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n/an/a 1.42E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404259
PNG
((5-Chloro-2-(2H-1,2,3-triazol-2- yl)phenyl)((2R,5R...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(Cl)ccc1-n1nccn1)c1cc(on1)C(C)(C)O
Show InChI InChI=1S/C21H24ClN5O3/c1-13-4-5-14(17-11-19(30-25-17)21(2,3)29)12-26(13)20(28)16-10-15(22)6-7-18(16)27-23-8-9-24-27/h6-11,13-14,29H,4-5,12H2,1-3H3/t13-,14-/m1/s1
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n/an/a 1.43E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404293
PNG
(2-{5-[(3R,6R)-1-(Biphenyl-2- ylcarbonyl)-6-methylp...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ccccc1)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C25H28N2O3/c1-17-13-14-19(22-15-23(26-30-22)25(2,3)29)16-27(17)24(28)21-12-8-7-11-20(21)18-9-5-4-6-10-18/h4-12,15,17,19,29H,13-14,16H2,1-3H3/t17-,19-/m1/s1
PDB

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n/an/a 1.81E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM404267
PNG
((((2R,5R)-5-(5-(2-Hydroxypropan-2-yl)isoxazol-3-yl...)
Show SMILES CC(C)Oc1ncccc1C(=O)N1C[C@@H](CC[C@H]1C)c1cc(on1)C(C)(C)O
Show InChI InChI=1S/C21H29N3O4/c1-13(2)27-19-16(7-6-10-22-19)20(25)24-12-15(9-8-14(24)3)17-11-18(28-23-17)21(4,5)26/h6-7,10-11,13-15,26H,8-9,12H2,1-5H3/t14-,15-/m1/s1
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n/an/a 1.84E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404296
PNG
(1-[2-({(2R,5R)-5-[3-(1-Hydroxy- 1-methylethyl)isox...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C23H27N3O3/c1-15-8-9-16(19-12-20(25-29-19)22(2,3)28)13-26(15)21(27)17-6-4-5-7-18(17)23(14-24)10-11-23/h4-7,12,15-16,28H,8-11,13H2,1-3H3/t15-,16-/m1/s1
PDB

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n/an/a 1.90E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404309
PNG
(((1R)-2,2,2-Trifluoro-1-{5-[(3R,6R)-6-methyl-1-{[2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(no1)[C@@H](O)C(F)(F)F
Show InChI InChI=1S/C20H20F3N5O3/c1-12-6-7-13(17-10-15(26-31-17)18(29)20(21,22)23)11-27(12)19(30)14-4-2-3-5-16(14)28-24-8-9-25-28/h2-5,8-10,12-13,18,29H,6-7,11H2,1H3/t12-,13-,18-/m1/s1
PDB

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n/an/a 2.15E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404313
PNG
(1-(2-{[(2R,5R)-2-Methyl-5-{3-[(1R)- 2,2,2-Trifluor...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)c1cc(no1)[C@@H](O)C(F)(F)F
Show InChI InChI=1S/C22H22F3N3O3/c1-13-6-7-14(18-10-17(27-31-18)19(29)22(23,24)25)11-28(13)20(30)15-4-2-3-5-16(15)21(12-26)8-9-21/h2-5,10,13-14,19,29H,6-9,11H2,1H3/t13-,14-,19-/m1/s1
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n/an/a 2.18E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404321
PNG
((1-Cyclopropyl-1-{5-[(3R,6R)-6-methyl-1-{[2-(2H-1,...)
Show SMILES CON(C)C(=O)c1cc(on1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H24N6O4/c1-14-8-9-15(19-12-17(24-31-19)21(29)25(2)30-3)13-26(14)20(28)16-6-4-5-7-18(16)27-22-10-11-23-27/h4-7,10-12,14-15H,8-9,13H2,1-3H3/t14-,15-/m1/s1
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n/an/a 2.36E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404308
PNG
((2-{5-[(3R,6R)-6-Ethyl-1-{[2-(2H-1,2,3-triazol-2-y...)
Show SMILES CC[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C22H27N5O3/c1-4-16-10-9-15(19-13-20(25-30-19)22(2,3)29)14-26(16)21(28)17-7-5-6-8-18(17)27-23-11-12-24-27/h5-8,11-13,15-16,29H,4,9-10,14H2,1-3H3/t15-,16-/m1/s1
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n/an/a 2.44E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404274
PNG
(US10017504, 10 | US10017504, 9)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(on1)C(C)(O)C1CC1
Show InChI InChI=1S/C23H27N5O3/c1-15-7-8-16(19-13-21(31-26-19)23(2,30)17-9-10-17)14-27(15)22(29)18-5-3-4-6-20(18)28-24-11-12-25-28/h3-6,11-13,15-17,30H,7-10,14H2,1-2H3/t15-,16-,23?/m1/s1
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n/an/a 2.86E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404322
PNG
(1-cyclopropyl-1-{5-[(3R,6R)-6-methyl-1-{[2-(2H-1,2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(no1)C(C)(O)C1CC1
Show InChI InChI=1S/C23H27N5O3/c1-15-7-8-16(20-13-21(26-31-20)23(2,30)17-9-10-17)14-27(15)22(29)18-5-3-4-6-19(18)28-24-11-12-25-28/h3-6,11-13,15-17,30H,7-10,14H2,1-2H3/t15-,16-,23?/m1/s1
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n/an/a 3.08E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404314
PNG
(1-(2-{[(2R,5R)-2-Methyl-5-{3-[(1S)- 2,2,2-trifluor...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)c1cc(no1)[C@H](O)C(F)(F)F
Show InChI InChI=1S/C22H22F3N3O3/c1-13-6-7-14(18-10-17(27-31-18)19(29)22(23,24)25)11-28(13)20(30)15-4-2-3-5-16(15)21(12-26)8-9-21/h2-5,10,13-14,19,29H,6-9,11H2,1H3/t13-,14-,19+/m1/s1
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n/an/a 3.42E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404281
PNG
(US10017504, 14)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(on1)C(C)(O)C(F)(F)F
Show InChI InChI=1S/C21H22F3N5O3/c1-13-7-8-14(16-11-18(32-27-16)20(2,31)21(22,23)24)12-28(13)19(30)15-5-3-4-6-17(15)29-25-9-10-26-29/h3-6,9-11,13-14,31H,7-8,12H2,1-2H3/t13-,14-,20?/m1/s1
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n/an/a 3.64E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404328
PNG
((2-{3-[(3R,6R)-6-Methyl-1-{[2-(2H-1,2,3-triazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-n1nccn1)c1cc(sn1)C(C)(C)O
Show InChI InChI=1S/C19H23N5O2S2/c1-12-4-5-13(15-10-16(28-22-15)19(2,3)26)11-23(12)17(25)14-6-9-27-18(14)24-20-7-8-21-24/h6-10,12-13,26H,4-5,11H2,1-3H3/t12-,13-/m1/s1
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n/an/a 3.96E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404282
PNG
(US10017504, 15)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(on1)C(C)(O)C(F)(F)F
Show InChI InChI=1S/C21H22F3N5O3/c1-13-7-8-14(16-11-18(32-27-16)20(2,31)21(22,23)24)12-28(13)19(30)15-5-3-4-6-17(15)29-25-9-10-26-29/h3-6,9-11,13-14,31H,7-8,12H2,1-2H3/t13-,14+,20?/m0/s1
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n/an/a 6.83E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404307
PNG
(2-{5-[(3R,6R)-1-{[2-(2,2- Difluorocyclopropyl)phen...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1CC1(F)F)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C22H26F2N2O3/c1-13-8-9-14(18-10-19(25-29-18)21(2,3)28)12-26(13)20(27)16-7-5-4-6-15(16)17-11-22(17,23)24/h4-7,10,13-14,17,28H,8-9,11-12H2,1-3H3/t13-,14-,17?/m1/s1
PDB

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n/an/a 7.78E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404274
PNG
(US10017504, 10 | US10017504, 9)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(on1)C(C)(O)C1CC1
Show InChI InChI=1S/C23H27N5O3/c1-15-7-8-16(19-13-21(31-26-19)23(2,30)17-9-10-17)14-27(15)22(29)18-5-3-4-6-20(18)28-24-11-12-25-28/h3-6,11-13,15-17,30H,7-10,14H2,1-2H3/t15-,16-,23?/m1/s1
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n/an/a 7.97E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404327
PNG
(2-{3-[(3R,6R)-6-Methyl-1-{[2-(2H-1,2,3-triazol-2-y...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(sn1)C(C)(C)O
Show InChI InChI=1S/C21H25N5O2S/c1-14-8-9-15(17-12-19(29-24-17)21(2,3)28)13-25(14)20(27)16-6-4-5-7-18(16)26-22-10-11-23-26/h4-7,10-12,14-15,28H,8-9,13H2,1-3H3/t14-,15-/m1/s1
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n/an/a 8.31E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404312
PNG
(US10017504, 43)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-n1nccn1)c1cc(no1)[C@H](O)C(F)(F)F
Show InChI InChI=1S/C18H18F3N5O3S/c1-10-2-3-11(14-8-13(24-29-14)15(27)18(19,20)21)9-25(10)16(28)12-4-7-30-17(12)26-22-5-6-23-26/h4-8,10-11,15,27H,2-3,9H2,1H3/t10-,11-,15+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404319
PNG
(((1R)-2,2,2-Trifluoro-1-(5-{(3R,6R)-6-methyl-1-[(2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ncccn1)c1cc(no1)[C@H](O)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O3/c1-13-7-8-14(18-11-17(28-32-18)19(30)22(23,24)25)12-29(13)21(31)16-6-3-2-5-15(16)20-26-9-4-10-27-20/h2-6,9-11,13-14,19,30H,7-8,12H2,1H3/t13-,14-,19+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404256
PNG
((1 2-{3-[(3R,6R)-6-Methyl-1-{[2-(2H-1,2,3-triazol-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(on1)C(C)(C)O
Show InChI InChI=1S/C21H25N5O3/c1-14-8-9-15(17-12-19(29-24-17)21(2,3)28)13-25(14)20(27)16-6-4-5-7-18(16)26-22-10-11-23-26/h4-7,10-12,14-15,28H,8-9,13H2,1-3H3/t14-,15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404267
PNG
((((2R,5R)-5-(5-(2-Hydroxypropan-2-yl)isoxazol-3-yl...)
Show SMILES CC(C)Oc1ncccc1C(=O)N1C[C@@H](CC[C@H]1C)c1cc(on1)C(C)(C)O
Show InChI InChI=1S/C21H29N3O4/c1-13(2)27-19-16(7-6-10-22-19)20(25)24-12-15(9-8-14(24)3)17-11-18(28-23-17)21(4,5)26/h6-7,10-11,13-15,26H,8-9,12H2,1-5H3/t14-,15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404269
PNG
((2-(2H-1,2,3-Triazol-2-yl)phenyl)((2R,5R)-5-(5-(3-...)
Show SMILES CCC(O)(CC)c1cc(no1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H29N5O3/c1-4-23(30,5-2)21-14-19(26-31-21)17-11-10-16(3)27(15-17)22(29)18-8-6-7-9-20(18)28-24-12-13-25-28/h6-9,12-14,16-17,30H,4-5,10-11,15H2,1-3H3/t16-,17-/m1/s1
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
n a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the...


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404292
PNG
(2-{5-[(3R,6R)-6-methyl-1-{[3- (1H-pyrazol-1-yl)pyr...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1nccnc1-n1cccn1)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C20H24N6O3/c1-13-5-6-14(15-11-16(24-29-15)20(2,3)28)12-25(13)19(27)17-18(22-9-8-21-17)26-10-4-7-23-26/h4,7-11,13-14,28H,5-6,12H2,1-3H3/t13-,14-/m1/s1
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
n a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with the...


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404302
PNG
(2-(5-{(3R,6R)-6-Methyl-1-[(2- phenylpyridin-3- yl)...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1-c1ccccc1)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C24H27N3O3/c1-16-11-12-18(20-14-21(26-30-20)24(2,3)29)15-27(16)23(28)19-10-7-13-25-22(19)17-8-5-4-6-9-17/h4-10,13-14,16,18,29H,11-12,15H2,1-3H3/t16-,18-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404311
PNG
(((1R)-2,2,2-Trifluoro-1-{5-[(3R,6R)-6-methyl-1-{[2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-n1nccn1)c1cc(no1)[C@@H](O)C(F)(F)F
Show InChI InChI=1S/C18H18F3N5O3S/c1-10-2-3-11(14-8-13(24-29-14)15(27)18(19,20)21)9-25(10)16(28)12-4-7-30-17(12)26-22-5-6-23-26/h4-8,10-11,15,27H,2-3,9H2,1H3/t10-,11-,15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404285
PNG
(((2R,5R)-5-[5-(1-Methoxy-1-methylethyl)isoxazol-3-...)
Show SMILES COC(C)(C)c1cc(no1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H27N5O3/c1-15-9-10-16(18-13-20(30-25-18)22(2,3)29-4)14-26(15)21(28)17-7-5-6-8-19(17)27-23-11-12-24-27/h5-8,11-13,15-16H,9-10,14H2,1-4H3/t15-,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404289
PNG
(2-(5-{(3R,6R)-6-Methyl-1-[(2- pyrimidin-2- ylpheny...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ncccn1)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C23H26N4O3/c1-15-9-10-16(19-13-20(26-30-19)23(2,3)29)14-27(15)22(28)18-8-5-4-7-17(18)21-24-11-6-12-25-21/h4-8,11-13,15-16,29H,9-10,14H2,1-3H3/t15-,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404294
PNG
(2-{5-[(3R,6R)-1-{[5-Chloro-2- (2H-1,2,3-triazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(Cl)ccc1-n1nccn1)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C21H24ClN5O3/c1-13-4-5-14(18-11-19(25-30-18)21(2,3)29)12-26(13)20(28)16-10-15(22)6-7-17(16)27-23-8-9-24-27/h6-11,13-14,29H,4-5,12H2,1-3H3/t13-,14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404297
PNG
(Methyl 2-({(2R,5R)-5-[3-(1- hydroxy-1-methylethyl)...)
Show SMILES COC(=O)c1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C21H26N2O5/c1-13-9-10-14(17-11-18(22-28-17)21(2,3)26)12-23(13)19(24)15-7-5-6-8-16(15)20(25)27-4/h5-8,11,13-14,26H,9-10,12H2,1-4H3/t13-,14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404318
PNG
((1R)-2,2,2-trifluoro-1-(5-{(3R,6R)-6-methyl-1-[(2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)c1cc(no1)[C@@H](O)C(F)(F)F
Show InChI InChI=1S/C20H19F3N4O3S/c1-11-3-4-12(15-9-14(26-30-15)17(28)20(21,22)23)10-27(11)19(29)13-5-8-31-16(13)18-24-6-2-7-25-18/h2,5-9,11-12,17,28H,3-4,10H2,1H3/t11-,12-,17-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404323
PNG
(2-{5-[(3R,6R)-6-Methyl-1- {[2-(2H-1,2,3- triazol-2...)
Show SMILES CCC(C)(O)c1cc(on1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H27N5O3/c1-4-22(3,29)20-13-19(30-25-20)16-10-9-15(2)26(14-16)21(28)17-7-5-6-8-18(17)27-23-11-12-24-27/h5-8,11-13,15-16,29H,4,9-10,14H2,1-3H3/t15-,16-,22?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404323
PNG
(2-{5-[(3R,6R)-6-Methyl-1- {[2-(2H-1,2,3- triazol-2...)
Show SMILES CCC(C)(O)c1cc(on1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H27N5O3/c1-4-22(3,29)20-13-19(30-25-20)16-10-9-15(2)26(14-16)21(28)17-7-5-6-8-18(17)27-23-11-12-24-27/h5-8,11-13,15-16,29H,4,9-10,14H2,1-3H3/t15-,16-,22?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404330
PNG
(2-{3-[(3R,6R)-1-{[4-Fluoro-2-(2H-1,2,3- triazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-n1nccn1)c1cc(sn1)C(C)(C)O
Show InChI InChI=1S/C21H24FN5O2S/c1-13-4-5-14(17-11-19(30-25-17)21(2,3)29)12-26(13)20(28)16-7-6-15(22)10-18(16)27-23-8-9-24-27/h6-11,13-14,29H,4-5,12H2,1-3H3/t13-,14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404331
PNG
(1-[2-({(2R,5R)-5-[5-(1-Hydroxy-1- methylethyl)isot...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)c1cc(sn1)C(C)(C)O
Show InChI InChI=1S/C23H27N3O2S/c1-15-8-9-16(19-12-20(29-25-19)22(2,3)28)13-26(15)21(27)17-6-4-5-7-18(17)23(14-24)10-11-23/h4-7,12,15-16,28H,8-11,13H2,1-3H3/t15-,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404335
PNG
(2-{3-[(3R,6R)-6-Methyl-1-{[4-(2H-1,2,3- triazol-2-...)
Show SMILES CC(C)(O)c1cc(ns1)[C@@H]1CCCN(C1)C(=O)c1cscc1-n1nccn1
Show InChI InChI=1S/C18H21N5O2S2/c1-18(2,25)16-8-14(21-27-16)12-4-3-7-22(9-12)17(24)13-10-26-11-15(13)23-19-5-6-20-23/h5-6,8,10-12,25H,3-4,7,9H2,1-2H3/t12-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404259
PNG
((5-Chloro-2-(2H-1,2,3-triazol-2- yl)phenyl)((2R,5R...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(Cl)ccc1-n1nccn1)c1cc(on1)C(C)(C)O
Show InChI InChI=1S/C21H24ClN5O3/c1-13-4-5-14(17-11-19(30-25-17)21(2,3)29)12-26(13)20(28)16-10-15(22)6-7-18(16)27-23-8-9-24-27/h6-11,13-14,29H,4-5,12H2,1-3H3/t13-,14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404340
PNG
(US10017504, 17)
Show SMILES CC(C)C(C)(O)c1cc(no1)[C@H]1CC[C@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H29N5O3/c1-15(2)23(4,30)21-13-19(26-31-21)17-10-9-16(3)27(14-17)22(29)18-7-5-6-8-20(18)28-24-11-12-25-28/h5-8,11-13,15-17,30H,9-10,14H2,1-4H3/t16-,17-,23?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404284
PNG
(((2S)-1,1-Difluoro-2-{3-[(3R,6R)-6-methyl-1-{[2-(2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(on1)[C@](C)(O)C(F)F
Show InChI InChI=1S/C21H23F2N5O3/c1-13-7-8-14(16-11-18(31-26-16)21(2,30)20(22)23)12-27(13)19(29)15-5-3-4-6-17(15)28-24-9-10-25-28/h3-6,9-11,13-14,20,30H,7-8,12H2,1-2H3/t13-,14-,21+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404316
PNG
((1S)-2,2,2-Trifluoro-1-{5-[(3R,6R)-6- methyl-1-{[2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)c1cc(no1)[C@H](O)C(F)(F)F
Show InChI InChI=1S/C19H19F3N6O3/c1-11-6-7-12(16-8-14(25-31-16)17(29)19(20,21)22)9-27(11)18(30)13-4-2-3-5-15(13)28-24-10-23-26-28/h2-5,8,10-12,17,29H,6-7,9H2,1H3/t11-,12-,17+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404325
PNG
(((2R,5R)-2-Methyl-5-[3-(tetrahydrofuran-2-yl)isoxa...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(no1)C1CCCO1
Show InChI InChI=1S/C22H25N5O3/c1-15-8-9-16(21-13-18(25-30-21)20-7-4-12-29-20)14-26(15)22(28)17-5-2-3-6-19(17)27-23-10-11-24-27/h2-3,5-6,10-11,13,15-16,20H,4,7-9,12,14H2,1H3/t15-,16-,20?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404338
PNG
(2-{3-[(3R,6R)-1-{[2-(2,2- Difluoroethoxy)pyridin-3...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1OCC(F)F)c1cc(sn1)C(C)(C)O
Show InChI InChI=1S/C20H25F2N3O3S/c1-12-6-7-13(15-9-16(29-24-15)20(2,3)27)10-25(12)19(26)14-5-4-8-23-18(14)28-11-17(21)22/h4-5,8-9,12-13,17,27H,6-7,10-11H2,1-3H3/t12-,13-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404268
PNG
(((2R,5R)-5-(5-(2-Hydroxypropan-2- yl)isoxazol-3-yl...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1OCC(F)(F)F)c1cc(on1)C(C)(C)O
Show InChI InChI=1S/C20H24F3N3O4/c1-12-6-7-13(15-9-16(30-25-15)19(2,3)28)10-26(12)18(27)14-5-4-8-24-17(14)29-11-20(21,22)23/h4-5,8-9,12-13,28H,6-7,10-11H2,1-3H3/t12-,13-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404280
PNG
((1-{3-[(3R,6R)-6-Methyl-1-{[2-(2H-1,2,3-triazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(on1)C1(O)CCC1
Show InChI InChI=1S/C22H25N5O3/c1-15-7-8-16(18-13-20(30-25-18)22(29)9-4-10-22)14-26(15)21(28)17-5-2-3-6-19(17)27-23-11-12-24-27/h2-3,5-6,11-13,15-16,29H,4,7-10,14H2,1H3/t15-,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404332
PNG
(2-(3-{(3R,6R)-6-Methyl-1-[(2-pyrimidin-2- ylphenyl...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ncccn1)c1cc(sn1)C(C)(C)O
Show InChI InChI=1S/C23H26N4O2S/c1-15-9-10-16(19-13-20(30-26-19)23(2,3)29)14-27(15)22(28)18-8-5-4-7-17(18)21-24-11-6-12-25-21/h4-8,11-13,15-16,29H,9-10,14H2,1-3H3/t15-,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404290
PNG
(2-(5-{(3R,6R)-1-[(2- Ethoxypyridin-3-yl)carbonyl]-...)
Show SMILES CCOc1ncccc1C(=O)N1C[C@@H](CC[C@H]1C)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C20H27N3O4/c1-5-26-18-15(7-6-10-21-18)19(24)23-12-14(9-8-13(23)2)16-11-17(22-27-16)20(3,4)25/h6-7,10-11,13-14,25H,5,8-9,12H2,1-4H3/t13-,14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404291
PNG
(2-{5-[(3R,6R)-1-{[5-Fluoro-2- (2H-1,2,3-triazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(F)ccc1-n1nccn1)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C21H24FN5O3/c1-13-4-5-14(18-11-19(25-30-18)21(2,3)29)12-26(13)20(28)16-10-15(22)6-7-17(16)27-23-8-9-24-27/h6-11,13-14,29H,4-5,12H2,1-3H3/t13-,14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404299
PNG
(2-{5-[(3R,6R)-6-Methyl-1-{[2- (2H-tetrazol-2- yl)p...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C20H24N6O3/c1-13-8-9-14(17-10-18(23-29-17)20(2,3)28)11-25(13)19(27)15-6-4-5-7-16(15)26-22-12-21-24-26/h4-7,10,12-14,28H,8-9,11H2,1-3H3/t13-,14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404304
PNG
(2-{5-[(3R,6R)-1-{[2-(2,2- Difluoroethoxy)phenyl]ca...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OCC(F)F)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C21H26F2N2O4/c1-13-8-9-14(17-10-18(24-29-17)21(2,3)27)11-25(13)20(26)15-6-4-5-7-16(15)28-12-19(22)23/h4-7,10,13-14,19,27H,8-9,11-12H2,1-3H3/t13-,14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404315
PNG
((1R)-2,2,2-Trifluoro-1-{5-[(3R,6R)-6- methyl-1-{[2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)c1cc(no1)[C@@H](O)C(F)(F)F
Show InChI InChI=1S/C19H19F3N6O3/c1-11-6-7-12(16-8-14(25-31-16)17(29)19(20,21)22)9-27(11)18(30)13-4-2-3-5-15(13)28-24-10-23-26-28/h2-5,8,10-12,17,29H,6-7,9H2,1H3/t11-,12-,17-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404339
PNG
(2-{3-[(3R,6R)-1-{[2-(2- methoxyethyl)phenyl]carbon...)
Show SMILES COCCc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1cc(sn1)C(C)(C)O
Show InChI InChI=1S/C22H30N2O3S/c1-15-9-10-17(19-13-20(28-23-19)22(2,3)26)14-24(15)21(25)18-8-6-5-7-16(18)11-12-27-4/h5-8,13,15,17,26H,9-12,14H2,1-4H3/t15-,17-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404257
PNG
((1-(2-((2R,5R)-5-(5-(2-Hydroxypropan-2-yl)isoxazol...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)c1cc(on1)C(C)(C)O
Show InChI InChI=1S/C23H27N3O3/c1-15-8-9-16(19-12-20(29-25-19)22(2,3)28)13-26(15)21(27)17-6-4-5-7-18(17)23(14-24)10-11-23/h4-7,12,15-16,28H,8-11,13H2,1-3H3/t15-,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404278
PNG
(US10017504, 11)
Show SMILES CC[C@@](C)(O)c1cc(no1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H27N5O3/c1-4-22(3,29)20-13-18(25-30-20)16-10-9-15(2)26(14-16)21(28)17-7-5-6-8-19(17)27-23-11-12-24-27/h5-8,11-13,15-16,29H,4,9-10,14H2,1-3H3/t15-,16-,22-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404283
PNG
(US10017504, 16)
Show SMILES CC(C)C(C)(O)c1cc(no1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H29N5O3/c1-15(2)23(4,30)21-13-19(26-31-21)17-10-9-16(3)27(14-17)22(29)18-7-5-6-8-20(18)28-24-11-12-25-28/h5-8,11-13,15-17,30H,9-10,14H2,1-4H3/t16-,17-,23?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404288
PNG
((2-{5-[(3R,6R)-1-{[2-(Methoxymethyl)phenyl]carbony...)
Show SMILES COCc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C21H28N2O4/c1-14-9-10-15(18-11-19(22-27-18)21(2,3)25)12-23(14)20(24)17-8-6-5-7-16(17)13-26-4/h5-8,11,14-15,25H,9-10,12-13H2,1-4H3/t14-,15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404306
PNG
(2-(5-{(3R,6R)-6-Methyl-1- [(2-pyrazin-2- ylphenyl)...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1cnccn1)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C23H26N4O3/c1-15-8-9-16(20-12-21(26-30-20)23(2,3)29)14-27(15)22(28)18-7-5-4-6-17(18)19-13-24-10-11-25-19/h4-7,10-13,15-16,29H,8-9,14H2,1-3H3/t15-,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404310
PNG
(US10017504, 41)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cc(no1)[C@H](O)C(F)(F)F
Show InChI InChI=1S/C20H20F3N5O3/c1-12-6-7-13(17-10-15(26-31-17)18(29)20(21,22)23)11-27(12)19(30)14-4-2-3-5-16(14)28-24-8-9-25-28/h2-5,8-10,12-13,18,29H,6-7,11H2,1H3/t12-,13-,18+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404320
PNG
(((1S)-2,2,2-Trifluoro-1-(5-{(3R,6R)-6-methyl-1-[(2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ncccn1)c1cc(no1)[C@H](O)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O3/c1-13-7-8-14(18-11-17(28-32-18)19(30)22(23,24)25)12-29(13)21(31)16-6-3-2-5-15(16)20-26-9-4-10-27-20/h2-6,9-11,13-14,19,30H,7-8,12H2,1H3/t13-,14-,19+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404336
PNG
(Methyl 2-({(2R,5R)-5-[5-(1-hydroxy-1- methylethyl)...)
Show SMILES COC(=O)c1ncccc1C(=O)N1C[C@@H](CC[C@H]1C)c1cc(sn1)C(C)(C)O
Show InChI InChI=1S/C20H25N3O4S/c1-12-7-8-13(15-10-16(28-22-15)20(2,3)26)11-23(12)18(24)14-6-5-9-21-17(14)19(25)27-4/h5-6,9-10,12-13,26H,7-8,11H2,1-4H3/t12-,13-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404337
PNG
(2-{3-[(3R,6R)-6-Methyl-1-{[2- (trifluoromethoxy)ph...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1OCC(F)(F)F)c1cc(sn1)C(C)(C)O
Show InChI InChI=1S/C20H24F3N3O3S/c1-12-6-7-13(15-9-16(30-25-15)19(2,3)28)10-26(12)18(27)14-5-4-8-24-17(14)29-11-20(21,22)23/h4-5,8-9,12-13,28H,6-7,10-11H2,1-3H3/t12-,13-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404264
PNG
((5-Fluoro-2-(2H-1,2,3-triazol-2- yl)phenyl)((2R,5R...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(F)ccc1-n1nccn1)c1cc(on1)C(C)(C)O
Show InChI InChI=1S/C21H24FN5O3/c1-13-4-5-14(17-11-19(30-25-17)21(2,3)29)12-26(13)20(28)16-10-15(22)6-7-18(16)27-23-8-9-24-27/h6-11,13-14,29H,4-5,12H2,1-3H3/t13-,14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404279
PNG
(US10017504, 12)
Show SMILES CC[C@](C)(O)c1cc(no1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H27N5O3/c1-4-22(3,29)20-13-18(25-30-20)16-10-9-15(2)26(14-16)21(28)17-7-5-6-8-19(17)27-23-11-12-24-27/h5-8,11-13,15-16,29H,4,9-10,14H2,1-3H3/t15-,16-,22+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404305
PNG
(2-{5-[(3R,6R)-6-Methyl-1-{[2- (2,2,2-trifluoroetho...)
Show SMILES CC(C)(O)c1cc(on1)[C@@H]1CCCN(C1)C(=O)c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C20H23F3N2O4/c1-19(2,27)17-10-16(29-24-17)13-6-5-9-25(11-13)18(26)14-7-3-4-8-15(14)28-12-20(21,22)23/h3-4,7-8,10,13,27H,5-6,9,11-12H2,1-2H3/t13-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404317
PNG
(((1S)-2,2,2-Trifluoro-1-(5-{(3R,6R)-6-methyl-1-[(2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)c1cc(no1)[C@@H](O)C(F)(F)F
Show InChI InChI=1S/C20H19F3N4O3S/c1-11-3-4-12(15-9-14(26-30-15)17(28)20(21,22)23)10-27(11)19(29)13-5-8-31-16(13)18-24-6-2-7-25-18/h2,5-9,11-12,17,28H,3-4,10H2,1H3/t11-,12-,17-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404329
PNG
(2-{3-[(3R,6R)-6-Methyl-1-{[2-(2H-tetrazol- 2-yl)ph...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)c1cc(sn1)C(C)(C)O
Show InChI InChI=1S/C20H24N6O2S/c1-13-8-9-14(16-10-18(29-23-16)20(2,3)28)11-25(13)19(27)15-6-4-5-7-17(15)26-22-12-21-24-26/h4-7,10,12-14,28H,8-9,11H2,1-3H3/t13-,14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404333
PNG
((2-(3-{(3R,6R)-6-Methyl-1-[(2-pyrimidin-2-ylthioph...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)c1cc(sn1)C(C)(C)O
Show InChI InChI=1S/C21H24N4O2S2/c1-13-5-6-14(16-11-17(29-24-16)21(2,3)27)12-25(13)20(26)15-7-10-28-18(15)19-22-8-4-9-23-19/h4,7-11,13-14,27H,5-6,12H2,1-3H3/t13-,14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404334
PNG
(2-(3-{(3R,6R)-6-Methyl-1-[(4-pyrimidin-2- ylthioph...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cscc1-c1ncccn1)c1cc(sn1)C(C)(C)O
Show InChI InChI=1S/C21H24N4O2S2/c1-13-5-6-14(17-9-18(29-24-17)21(2,3)27)10-25(13)20(26)16-12-28-11-15(16)19-22-7-4-8-23-19/h4,7-9,11-14,27H,5-6,10H2,1-3H3/t13-,14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404266
PNG
(((2-Ethoxyphenyl)((2R,5R)-5-(5-(2-hydroxypropan-2-...)
Show SMILES CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1cc(on1)C(C)(C)O
Show InChI InChI=1S/C21H28N2O4/c1-5-26-18-9-7-6-8-16(18)20(24)23-13-15(11-10-14(23)2)17-12-19(27-22-17)21(3,4)25/h6-9,12,14-15,25H,5,10-11,13H2,1-4H3/t14-,15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404286
PNG
((2-{5-[(3R,6R)-6-Methyl-1-{[2-(2H-1,2,3-triazol-2-...)
Show SMILES CCOC(=O)c1cc(on1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H23N5O4/c1-3-29-21(28)17-12-19(30-24-17)15-9-8-14(2)25(13-15)20(27)16-6-4-5-7-18(16)26-22-10-11-23-26/h4-7,10-12,14-15H,3,8-9,13H2,1-2H3/t14-,15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404295
PNG
(2-(5-{(3R,6R)-6-Methyl-1-[(3- pyridin-2-ylpyrazin-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1nccnc1-c1ccccn1)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C22H25N5O3/c1-14-7-8-15(17-12-18(26-30-17)22(2,3)29)13-27(14)21(28)20-19(24-10-11-25-20)16-6-4-5-9-23-16/h4-6,9-12,14-15,29H,7-8,13H2,1-3H3/t14-,15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404298
PNG
(2-(5-{(3R,6R)-1-[(2- Ethoxyphenyl)carbonyl]-6- met...)
Show SMILES CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C21H28N2O4/c1-5-26-17-9-7-6-8-16(17)20(24)23-13-15(11-10-14(23)2)18-12-19(22-27-18)21(3,4)25/h6-9,12,14-15,25H,5,10-11,13H2,1-4H3/t14-,15-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM404303
PNG
(2-(5-{(3R,6R)-6-Methyl-1-[(3- phenylpyridin-2- yl)...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ncccc1-c1ccccc1)c1cc(no1)C(C)(C)O
Show InChI InChI=1S/C24H27N3O3/c1-16-11-12-18(20-14-21(26-30-20)24(2,3)29)15-27(16)23(28)22-19(10-7-13-25-22)17-8-5-4-6-9-17/h4-10,13-14,16,18,29H,11-12,15H2,1-3H3/t16-,18-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10017504 (2018)


BindingDB Entry DOI: 10.7270/Q24F1T30
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%