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Patent code US9745284

Compile Data Set for Download or QSAR
Found 120 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))
BDBM336788
PNG
( (2-(2H-1,2,3-Triazol-2-yl)phenyl)((2R,5R)-5-((4-(...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(OC(F)F)ccn1
Show InChI InChI=1S/C21H21F2N5O3/c1-14-6-7-16(30-19-12-15(8-9-24-19)31-21(22)23)13-27(14)20(29)17-4-2-3-5-18(17)28-25-10-11-26-28/h2-5,8-12,14,16,21H,6-7,13H2,1H3/t14-,16-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336789
PNG
((2-(2H-1,2,3-Triazol-2-yl)phenyl)((2R,5R)-5-((4-(f...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(OCF)ccn1
Show InChI InChI=1S/C21H22FN5O3/c1-15-6-7-17(30-20-12-16(29-14-22)8-9-23-20)13-26(15)21(28)18-4-2-3-5-19(18)27-24-10-11-25-27/h2-5,8-12,15,17H,6-7,13-14H2,1H3/t15-,17-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336766
PNG
((2-(2H-1,2,3-triazol-2- yl)phenyl)((2R,5R)-2- meth...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(OCC(F)(F)F)ccn1
Show InChI InChI=1S/C22H22F3N5O3/c1-15-6-7-17(33-20-12-16(8-9-26-20)32-14-22(23,24)25)13-29(15)21(31)18-4-2-3-5-19(18)30-27-10-11-28-30/h2-5,8-12,15,17H,6-7,13-14H2,1H3/t15-,17-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336784
PNG
(4-Methoxy-3-methyl-2-{[(3R,6R)-6-methyl-1-{[2-(2H-...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1C
Show InChI InChI=1S/C22H25N5O3/c1-15-8-9-17(30-21-16(2)20(29-3)10-11-23-21)14-26(15)22(28)18-6-4-5-7-19(18)27-24-12-13-25-27/h4-7,10-13,15,17H,8-9,14H2,1-3H3/t15-,17-/m1/s1
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n/an/a 9.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336792
PNG
(1-(2-{[(2R,5R)- 5-{[4- (difluoromethoxy) pyridin-2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)Oc1cc(OC(F)F)ccn1
Show InChI InChI=1S/C23H23F2N3O3/c1-15-6-7-17(30-20-12-16(8-11-27-20)31-22(24)25)13-28(15)21(29)18-4-2-3-5-19(18)23(14-26)9-10-23/h2-5,8,11-12,15,17,22H,6-7,9-10,13H2,1H3/t15-,17-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336790
PNG
((2-(2H-1,2,3-Triazol-2-yl)thiophen-3-yl)((2R,5R)-5...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-n1nccn1)Oc1cc(OC(F)F)ccn1
Show InChI InChI=1S/C19H19F2N5O3S/c1-12-2-3-14(28-16-10-13(4-6-22-16)29-19(20)21)11-25(12)17(27)15-5-9-30-18(15)26-23-7-8-24-26/h4-10,12,14,19H,2-3,11H2,1H3/t12-,14-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336795
PNG
(4-methoxy-2- {[(3R,6R)-6-methyl-1- {[2-(2H-1,2,3-t...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccsc2-n2nccn2)c1
Show InChI InChI=1S/C19H21N5O3S/c1-13-3-4-15(27-17-11-14(26-2)5-7-20-17)12-23(13)18(25)16-6-10-28-19(16)24-21-8-9-22-24/h5-11,13,15H,3-4,12H2,1-2H3/t13-,15-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336752
PNG
(2-({(3R,6R)-1-[(2- cyclopropylphenyl) carbonyl]-6-...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2C2CC2)c1
Show InChI InChI=1S/C22H26N2O3/c1-15-7-10-18(27-21-13-17(26-2)11-12-23-21)14-24(15)22(25)20-6-4-3-5-19(20)16-8-9-16/h3-6,11-13,15-16,18H,7-10,14H2,1-2H3/t15-,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
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336793
PNG
(4-(difluoromethoxy)- 2-{[(3R,6R)-6- methyl-1-{[2-(...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)Oc1cc(OC(F)F)ccn1
Show InChI InChI=1S/C20H20F2N6O3/c1-13-6-7-15(30-18-10-14(8-9-23-18)31-20(21)22)11-27(13)19(29)16-4-2-3-5-17(16)28-25-12-24-26-28/h2-5,8-10,12-13,15,20H,6-7,11H2,1H3/t13-,15-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336765
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,5R)-5-((4-(2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C22H23F2N5O3/c1-15-6-7-17(32-21-12-16(8-9-25-21)31-14-20(23)24)13-28(15)22(30)18-4-2-3-5-19(18)29-26-10-11-27-29/h2-5,8-12,15,17,20H,6-7,13-14H2,1H3/t15-,17-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336787
PNG
(1-(4-methoxy-2- {[(3R,6R)-6- methyl-1-{[2-(2H- 1,2...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1C(C)=O
Show InChI InChI=1S/C23H25N5O4/c1-15-8-9-17(32-22-21(16(2)29)20(31-3)10-11-24-22)14-27(15)23(30)18-6-4-5-7-19(18)28-25-12-13-26-28/h4-7,10-13,15,17H,8-9,14H2,1-3H3/t15-,17-/m1/s1
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n/an/a 12.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50084395
PNG
(CHEMBL3426144 | US9745284, 2)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1
Show InChI InChI=1S/C21H23N5O3/c1-15-7-8-17(29-20-13-16(28-2)9-10-22-20)14-25(15)21(27)18-5-3-4-6-19(18)26-23-11-12-24-26/h3-6,9-13,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1
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US Patent
n/an/a 12.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336791
PNG
(4-(difluoromethoxy)- 2-{[(3R,6R)- 6-methyl-1- {[4-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cscc1-n1nccn1)Oc1cc(OC(F)F)ccn1
Show InChI InChI=1S/C19H19F2N5O3S/c1-12-2-3-14(28-17-8-13(4-5-22-17)29-19(20)21)9-25(12)18(27)15-10-30-11-16(15)26-23-6-7-24-26/h4-8,10-12,14,19H,2-3,9H2,1H3/t12-,14-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336751
PNG
(2-{[(3R,6R)-1- {[3-fluoro-2-(2H- 1,2,3-triazol-2-y...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(F)c2-n2nccn2)c1
Show InChI InChI=1S/C21H22FN5O3/c1-14-6-7-16(30-19-12-15(29-2)8-9-23-19)13-26(14)21(28)17-4-3-5-18(22)20(17)27-24-10-11-25-27/h3-5,8-12,14,16H,6-7,13H2,1-2H3/t14-,16-/m1/s1
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n/an/a 14.7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336745
PNG
(3-bromo-4-methoxy-2-{[(3R,6R)-6- methyl-1-{[2-(2H-...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1Br
Show InChI InChI=1S/C21H22BrN5O3/c1-14-7-8-15(30-20-19(22)18(29-2)9-10-23-20)13-26(14)21(28)16-5-3-4-6-17(16)27-24-11-12-25-27/h3-6,9-12,14-15H,7-8,13H2,1-2H3/t14-,15-/m1/s1
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n/an/a 14.7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336747
PNG
(4-(1-methylethoxy)-2-{[(3R,6R)-6-methyl-1-{[2-(2H-...)
Show SMILES CC(C)Oc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1
Show InChI InChI=1S/C23H27N5O3/c1-16(2)30-18-10-11-24-22(14-18)31-19-9-8-17(3)27(15-19)23(29)20-6-4-5-7-21(20)28-25-12-13-26-28/h4-7,10-14,16-17,19H,8-9,15H2,1-3H3/t17-,19-/m1/s1
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n/an/a 15.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336777
PNG
(4-(Cyclopropyloxy)-2-{[(3R,6R)-6-methyl-1-{[2-(2H-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(OC2CC2)ccn1
Show InChI InChI=1S/C23H25N5O3/c1-16-6-7-19(31-22-14-18(10-11-24-22)30-17-8-9-17)15-27(16)23(29)20-4-2-3-5-21(20)28-25-12-13-26-28/h2-5,10-14,16-17,19H,6-9,15H2,1H3/t16-,19-/m1/s1
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n/an/a 15.2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336748
PNG
(4-methoxy-2-{[(3R,6R)-6-methyl-1-{[4-(2H-1,2,3-tri...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cnccc2-n2nccn2)c1
Show InChI InChI=1S/C20H22N6O3/c1-14-3-4-16(29-19-11-15(28-2)5-8-22-19)13-25(14)20(27)17-12-21-7-6-18(17)26-23-9-10-24-26/h5-12,14,16H,3-4,13H2,1-2H3/t14-,16-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336743
PNG
(4-Ethoxy-2-{[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3-tria...)
Show SMILES CCOc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1
Show InChI InChI=1S/C22H25N5O3/c1-3-29-17-10-11-23-21(14-17)30-18-9-8-16(2)26(15-18)22(28)19-6-4-5-7-20(19)27-24-12-13-25-27/h4-7,10-14,16,18H,3,8-9,15H2,1-2H3/t16-,18-/m1/s1
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n/an/a 20.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336794
PNG
(((2R,5R)-5-((4-Methoxypyridin-2-yl)oxy)-2-methylpi...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccsc2-c2ncccn2)c1
Show InChI InChI=1S/C21H22N4O3S/c1-14-4-5-16(28-18-12-15(27-2)6-10-22-18)13-25(14)21(26)17-7-11-29-19(17)20-23-8-3-9-24-20/h3,6-12,14,16H,4-5,13H2,1-2H3/t14-,16-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336798
PNG
(4-ethoxy-2-{[(3R,6R)-6- methyl-1-{[2-(2H-1,2,3- tr...)
Show SMILES CCOc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccsc2-n2nccn2)c1
Show InChI InChI=1S/C20H23N5O3S/c1-3-27-15-6-8-21-18(12-15)28-16-5-4-14(2)24(13-16)19(26)17-7-11-29-20(17)25-22-9-10-23-25/h6-12,14,16H,3-5,13H2,1-2H3/t14-,16-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336796
PNG
((2-(2H-1,2,3-Triazol-2-yl)thiophen-3-yl)((2R,5R)-5...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-n1nccn1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C20H21F2N5O3S/c1-13-2-3-15(30-18-10-14(4-6-23-18)29-12-17(21)22)11-26(13)19(28)16-5-9-31-20(16)27-24-7-8-25-27/h4-10,13,15,17H,2-3,11-12H2,1H3/t13-,15-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336758
PNG
(2-{[(3R,6R)-1- {[4-fluoro-2-(2H- 1,2,3-triazol-2-y...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-n2nccn2)c1
Show InChI InChI=1S/C21H22FN5O3/c1-14-3-5-17(30-20-12-16(29-2)7-8-23-20)13-26(14)21(28)18-6-4-15(22)11-19(18)27-24-9-10-25-27/h4,6-12,14,17H,3,5,13H2,1-2H3/t14-,17-/m1/s1
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n/an/a 22.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336749
PNG
(4-(1- methylethoxy)- 2-{[(3R,6R)-6- methyl-1-{[2- ...)
Show SMILES CC(C)Oc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2ncnn2)c1
Show InChI InChI=1S/C22H26N6O3/c1-15(2)30-17-10-11-23-21(12-17)31-18-9-8-16(3)27(13-18)22(29)19-6-4-5-7-20(19)28-25-14-24-26-28/h4-7,10-12,14-16,18H,8-9,13H2,1-3H3/t16-,18-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336770
PNG
(1-(2-{[(2R,5R)-5-{[4-(2,2- difluoroethoxy)pyridin-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C24H25F2N3O3/c1-16-6-7-18(32-22-12-17(8-11-28-22)31-14-21(25)26)13-29(16)23(30)19-4-2-3-5-20(19)24(15-27)9-10-24/h2-5,8,11-12,16,18,21H,6-7,9-10,13-14H2,1H3/t16-,18-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336755
PNG
(6-methoxy-3- ({(2R,5R)-5-[(4- methoxypyridin- 2-yl...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(OC)nc2-c2ccccc2)c1
Show InChI InChI=1S/C25H27N3O4/c1-17-9-10-20(32-23-15-19(30-2)13-14-26-23)16-28(17)25(29)21-11-12-22(31-3)27-24(21)18-7-5-4-6-8-18/h4-8,11-15,17,20H,9-10,16H2,1-3H3/t17-,20-/m1/s1
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n/an/a 24.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336797
PNG
(4-(1-methylethoxy)-2- {[(3R,6R)-6-methyl-1-{[2- (2...)
Show SMILES CC(C)Oc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccsc2-n2nccn2)c1
Show InChI InChI=1S/C21H25N5O3S/c1-14(2)28-16-6-8-22-19(12-16)29-17-5-4-15(3)25(13-17)20(27)18-7-11-30-21(18)26-23-9-10-24-26/h6-12,14-15,17H,4-5,13H2,1-3H3/t15-,17-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336802
PNG
(2-(3-{[(2R,5R)-2- methyl-5-{[4-(2,2,2- trifluoroet...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)Oc1cc(OCC(F)(F)F)ccn1
Show InChI InChI=1S/C22H21F3N4O3S/c1-14-3-4-16(32-18-11-15(5-9-26-18)31-13-22(23,24)25)12-29(14)21(30)17-6-10-33-19(17)20-27-7-2-8-28-20/h2,5-11,14,16H,3-4,12-13H2,1H3/t14-,16-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336801
PNG
(((2R,5R)-5-(4-Ethoxypyridin-2-yloxy)-2-methylpiper...)
Show SMILES CCOc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccsc2-c2ncccn2)c1
Show InChI InChI=1S/C22H24N4O3S/c1-3-28-16-7-11-23-19(13-16)29-17-6-5-15(2)26(14-17)22(27)18-8-12-30-20(18)21-24-9-4-10-25-21/h4,7-13,15,17H,3,5-6,14H2,1-2H3/t15-,17-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336756
PNG
(2-{[(3R,6R)-1- {[2-fluoro-6-(2H- 1,2,3-triazol-2-y...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-n2nccn2)c1
Show InChI InChI=1S/C21H22FN5O3/c1-14-6-7-16(30-19-12-15(29-2)8-9-23-19)13-26(14)21(28)20-17(22)4-3-5-18(20)27-24-10-11-25-27/h3-5,8-12,14,16H,6-7,13H2,1-2H3/t14-,16-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336767
PNG
(4-(2,2-difluoroethoxy)-2- {[(3R,6R)-6-methyl-1-{[2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C21H22F2N6O3/c1-14-6-7-16(32-20-10-15(8-9-24-20)31-12-19(22)23)11-28(14)21(30)17-4-2-3-5-18(17)29-26-13-25-27-29/h2-5,8-10,13-14,16,19H,6-7,11-12H2,1H3/t14-,16-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336781
PNG
(2-(2-{[(2R,5R)-5-{[4-(2,2- difluoroethoxy)pyridin-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ncccn1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C24H24F2N4O3/c1-16-7-8-18(33-22-13-17(9-12-27-22)32-15-21(25)26)14-30(16)24(31)20-6-3-2-5-19(20)23-28-10-4-11-29-23/h2-6,9-13,16,18,21H,7-8,14-15H2,1H3/t16-,18-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336769
PNG
(4-(2,2-difluoroethoxy)-2- {[(3R,6R)-6-methyl-1-({2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1CS(C)(=O)=O)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C22H26F2N2O5S/c1-15-7-8-18(31-21-11-17(9-10-25-21)30-13-20(23)24)12-26(15)22(27)19-6-4-3-5-16(19)14-32(2,28)29/h3-6,9-11,15,18,20H,7-8,12-14H2,1-2H3/t15-,18-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336754
PNG
(2-({(3R,6R)-1-[(2- ethoxyphenyl) carbonyl]-6- meth...)
Show SMILES CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)Oc1cc(OC)ccn1
Show InChI InChI=1S/C21H26N2O4/c1-4-26-19-8-6-5-7-18(19)21(24)23-14-17(10-9-15(23)2)27-20-13-16(25-3)11-12-22-20/h5-8,11-13,15,17H,4,9-10,14H2,1-3H3/t15-,17-/m1/s1
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n/an/a 34.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336750
PNG
(4-ethoxy-2- {[(3R,6R)-6- methyl-1-{[2- (2H-tetrazo...)
Show SMILES CCOc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2ncnn2)c1
Show InChI InChI=1S/C21H24N6O3/c1-3-29-16-10-11-22-20(12-16)30-17-9-8-15(2)26(13-17)21(28)18-6-4-5-7-19(18)27-24-14-23-25-27/h4-7,10-12,14-15,17H,3,8-9,13H2,1-2H3/t15-,17-/m1/s1
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n/an/a 35.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336800
PNG
(((2R,5R)-5-((4-(2,2-Difluoroethoxy)pyridin-2-yl)ox...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C22H22F2N4O3S/c1-14-3-4-16(31-19-11-15(5-9-25-19)30-13-18(23)24)12-28(14)22(29)17-6-10-32-20(17)21-26-7-2-8-27-21/h2,5-11,14,16,18H,3-4,12-13H2,1H3/t14-,16-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336764
PNG
(2-{[(3R,6R)-1- {[5-fluoro-2-(2H- 1,2,3-triazol-2-y...)
Show SMILES CC(C)Oc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-n2nccn2)c1
Show InChI InChI=1S/C23H26FN5O3/c1-15(2)31-18-8-9-25-22(13-18)32-19-6-4-16(3)28(14-19)23(30)20-12-17(24)5-7-21(20)29-26-10-11-27-29/h5,7-13,15-16,19H,4,6,14H2,1-3H3/t16-,19-/m1/s1
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n/an/a 37.2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336786
PNG
(4-Methoxy-2-{[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3-tri...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1C=O
Show InChI InChI=1S/C22H23N5O4/c1-15-7-8-16(31-21-18(14-28)20(30-2)9-10-23-21)13-26(15)22(29)17-5-3-4-6-19(17)27-24-11-12-25-27/h3-6,9-12,14-16H,7-8,13H2,1-2H3/t15-,16-/m1/s1
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US Patent
n/an/a 37.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336768
PNG
(2-{[(3R,6R)-6-methyl-1-{[2- (2H-tetrazol-2- yl)phe...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)Oc1cc(OCC(F)(F)F)ccn1
Show InChI InChI=1S/C21H21F3N6O3/c1-14-6-7-16(33-19-10-15(8-9-25-19)32-12-21(22,23)24)11-29(14)20(31)17-4-2-3-5-18(17)30-27-13-26-28-30/h2-5,8-10,13-14,16H,6-7,11-12H2,1H3/t14-,16-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336760
PNG
(2-cyclopropyl- 6-methoxy-3- ({(2R,5R)-5-[(4- metho...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(OC)nc2C2CC2)c1
Show InChI InChI=1S/C22H27N3O4/c1-14-4-7-17(29-20-12-16(27-2)10-11-23-20)13-25(14)22(26)18-8-9-19(28-3)24-21(18)15-5-6-15/h8-12,14-15,17H,4-7,13H2,1-3H3/t14-,17-/m1/s1
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US Patent
n/an/a 38.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336779
PNG
(2-{[(3R,6R)-6-methyl-1-{[2-(2H- 1,2,3-triazol-2- y...)
Show SMILES CCCOc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1
Show InChI InChI=1S/C23H27N5O3/c1-3-14-30-18-10-11-24-22(15-18)31-19-9-8-17(2)27(16-19)23(29)20-6-4-5-7-21(20)28-25-12-13-26-28/h4-7,10-13,15,17,19H,3,8-9,14,16H2,1-2H3/t17-,19-/m1/s1
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n/an/a 38.7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336761
PNG
(2-{[(3R,6R)-1- {[4-fluoro-2-(2H- 1,2,3-triazol-2-y...)
Show SMILES CC(C)Oc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-n2nccn2)c1
Show InChI InChI=1S/C23H26FN5O3/c1-15(2)31-18-8-9-25-22(13-18)32-19-6-4-16(3)28(14-19)23(30)20-7-5-17(24)12-21(20)29-26-10-11-27-29/h5,7-13,15-16,19H,4,6,14H2,1-3H3/t16-,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
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336772
PNG
(4-(2,2-difluoroethoxy)-2- {[(3R,6R)-1-{[3-fluoro-2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccc(F)c1-n1nccn1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C22H22F3N5O3/c1-14-5-6-16(33-20-11-15(7-8-26-20)32-13-19(24)25)12-29(14)22(31)17-3-2-4-18(23)21(17)30-27-9-10-28-30/h2-4,7-11,14,16,19H,5-6,12-13H2,1H3/t14-,16-/m1/s1
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n/an/a 42n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336775
PNG
(4-(2,2-difluoroethoxy)-2- {[(3R,6R)-6-methyl-1-{[2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1nc(C)no1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C23H24F2N4O4/c1-14-7-8-17(32-21-11-16(9-10-26-21)31-13-20(24)25)12-29(14)23(30)19-6-4-3-5-18(19)22-27-15(2)28-33-22/h3-6,9-11,14,17,20H,7-8,12-13H2,1-2H3/t14-,17-/m1/s1
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n/an/a 52n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336799
PNG
(2-{[(3R,6R)-6-methyl-1- {[2-(2H-1,2,3-triazol-2- y...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-n1nccn1)Oc1cc(OCC(F)(F)F)ccn1
Show InChI InChI=1S/C20H20F3N5O3S/c1-13-2-3-15(31-17-10-14(4-6-24-17)30-12-20(21,22)23)11-27(13)18(29)16-5-9-32-19(16)28-25-7-8-26-28/h4-10,13,15H,2-3,11-12H2,1H3/t13-,15-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336776
PNG
(4-(2,2-difluoroethoxy)-2- {[(3R,6R)-6-methyl-1-{[2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1noc(C)n1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C23H24F2N4O4/c1-14-7-8-17(32-21-11-16(9-10-26-21)31-13-20(24)25)12-29(14)23(30)19-6-4-3-5-18(19)22-27-15(2)33-28-22/h3-6,9-11,14,17,20H,7-8,12-13H2,1-2H3/t14-,17-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336774
PNG
(4-(2,2-difluoroethoxy)-2- {[(3R,6R)-1-{[2-fluoro-6...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1c(F)cccc1-n1nccn1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C22H22F3N5O3/c1-14-5-6-16(33-20-11-15(7-8-26-20)32-13-19(24)25)12-29(14)22(31)21-17(23)3-2-4-18(21)30-27-9-10-28-30/h2-4,7-11,14,16,19H,5-6,12-13H2,1H3/t14-,16-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336753
PNG
(4-methoxy-2- {[(3R,6R)-6- methyl-1-{[2- (trifluoro...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C20H21F3N2O3/c1-13-7-8-15(28-18-11-14(27-2)9-10-24-18)12-25(13)19(26)16-5-3-4-6-17(16)20(21,22)23/h3-6,9-11,13,15H,7-8,12H2,1-2H3/t13-,15-/m1/s1
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n/an/a 56.2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336746
PNG
(4-(benzyloxy)-2-{[(3R,6R)-6- methyl-1-{[2-(2H-1,2,...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(OCc2ccccc2)ccn1
Show InChI InChI=1S/C27H27N5O3/c1-20-11-12-23(35-26-17-22(13-14-28-26)34-19-21-7-3-2-4-8-21)18-31(20)27(33)24-9-5-6-10-25(24)32-29-15-16-30-32/h2-10,13-17,20,23H,11-12,18-19H2,1H3/t20-,23-/m1/s1
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n/an/a 59.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336773
PNG
(4-(2,2-difluoroethoxy)-2- {[(3R,6R)-1-{[4-fluoro-2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-n1nccn1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C22H22F3N5O3/c1-14-2-4-17(33-21-11-16(6-7-26-21)32-13-20(24)25)12-29(14)22(31)18-5-3-15(23)10-19(18)30-27-8-9-28-30/h3,5-11,14,17,20H,2,4,12-13H2,1H3/t14-,17-/m1/s1
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n/an/a 62n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336782
PNG
(2-(2-{[(2R,5R)-5-{[4-(2,2- difluoroethoxy)pyridin-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-c1ncccn1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C24H23F3N4O3/c1-15-3-5-18(34-22-12-17(7-10-28-22)33-14-21(26)27)13-31(15)24(32)19-6-4-16(25)11-20(19)23-29-8-2-9-30-23/h2,4,6-12,15,18,21H,3,5,13-14H2,1H3/t15-,18-/m1/s1
PDB

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n/an/a 63n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336780
PNG
(2-(2-{[(2R,5R)-2-Methyl-5-{[4-(1-methylethoxy)pyri...)
Show SMILES CC(C)Oc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2ncccn2)c1
Show InChI InChI=1S/C25H28N4O3/c1-17(2)31-19-11-14-26-23(15-19)32-20-10-9-18(3)29(16-20)25(30)22-8-5-4-7-21(22)24-27-12-6-13-28-24/h4-8,11-15,17-18,20H,9-10,16H2,1-3H3/t18-,20-/m1/s1
PDB

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n/an/a 67n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336771
PNG
(2-{[(2R,5R)-5-{[4-(2,2- difluoroethoxy)pyridin-2- ...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ncccc1-n1nccn1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C21H22F2N6O3/c1-14-4-5-16(32-19-11-15(6-8-24-19)31-13-18(22)23)12-28(14)21(30)20-17(3-2-7-25-20)29-26-9-10-27-29/h2-3,6-11,14,16,18H,4-5,12-13H2,1H3/t14-,16-/m1/s1
PDB

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n/an/a 71n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336785
PNG
(2,4-Dimethoxy-6-{[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3...)
Show SMILES COc1cc(OC)nc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1
Show InChI InChI=1S/C22H25N5O4/c1-15-8-9-16(31-21-13-17(29-2)12-20(25-21)30-3)14-26(15)22(28)18-6-4-5-7-19(18)27-23-10-11-24-27/h4-7,10-13,15-16H,8-9,14H2,1-3H3/t15-,16-/m1/s1
PDB

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n/an/a 71n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336783
PNG
(2-(2-{[(2R,5R)-5-{[4-(2,2- difluoroethoxy)pyridin-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ncccc1-c1ncccn1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C23H23F2N5O3/c1-15-5-6-17(33-20-12-16(7-11-26-20)32-14-19(24)25)13-30(15)23(31)21-18(4-2-8-27-21)22-28-9-3-10-29-22/h2-4,7-12,15,17,19H,5-6,13-14H2,1H3/t15-,17-/m1/s1
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n/an/a 84n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336757
PNG
(6-methoxy-3- ({(2R,5R)-5-[(4- methoxypyridin- 2-yl...)
Show SMILES COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Oc2cc(OC(C)C)ccn2)c(n1)-n1nccn1
Show InChI InChI=1S/C23H28N6O4/c1-15(2)32-17-9-10-24-21(13-17)33-18-6-5-16(3)28(14-18)23(30)19-7-8-20(31-4)27-22(19)29-25-11-12-26-29/h7-13,15-16,18H,5-6,14H2,1-4H3/t16-,18-/m1/s1
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n/an/a 94.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336757
PNG
(6-methoxy-3- ({(2R,5R)-5-[(4- methoxypyridin- 2-yl...)
Show SMILES COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Oc2cc(OC(C)C)ccn2)c(n1)-n1nccn1
Show InChI InChI=1S/C23H28N6O4/c1-15(2)32-17-9-10-24-21(13-17)33-18-6-5-16(3)28(14-18)23(30)19-7-8-20(31-4)27-22(19)29-25-11-12-26-29/h7-13,15-16,18H,5-6,14H2,1-4H3/t16-,18-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336759
PNG
(4-methoxy-2- {[(3R,6R)-1-{[4- methoxy-2-(2H- 1,2,3...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(OC)cc2-n2nccn2)c1
Show InChI InChI=1S/C22H25N5O4/c1-15-4-5-18(31-21-13-17(30-3)8-9-23-21)14-26(15)22(28)19-7-6-16(29-2)12-20(19)27-24-10-11-25-27/h6-13,15,18H,4-5,14H2,1-3H3/t15-,18-/m1/s1
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n/an/a 114n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336778
PNG
(4-(2-methylpropoxy)-2-{[(3R,6R)-6- methyl-1-{[2-(2...)
Show SMILES CC(C)COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1
Show InChI InChI=1S/C24H29N5O3/c1-17(2)16-31-19-10-11-25-23(14-19)32-20-9-8-18(3)28(15-20)24(30)21-6-4-5-7-22(21)29-26-12-13-27-29/h4-7,10-14,17-18,20H,8-9,15-16H2,1-3H3/t18-,20-/m1/s1
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n/an/a 134n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM336762
PNG
(2-{[(3R,6R)-1- {[4-methoxy-2- (2H-1,2,3-triazol- 2...)
Show SMILES COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Oc2cc(OC(C)C)ccn2)c(c1)-n1nccn1
Show InChI InChI=1S/C24H29N5O4/c1-16(2)32-19-9-10-25-23(14-19)33-20-6-5-17(3)28(15-20)24(30)21-8-7-18(31-4)13-22(21)29-26-11-12-27-29/h7-14,16-17,20H,5-6,15H2,1-4H3/t17-,20-/m1/s1
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n/an/a 136n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336788
PNG
( (2-(2H-1,2,3-Triazol-2-yl)phenyl)((2R,5R)-5-((4-(...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(OC(F)F)ccn1
Show InChI InChI=1S/C21H21F2N5O3/c1-14-6-7-16(30-19-12-15(8-9-24-19)31-21(22)23)13-27(14)20(29)17-4-2-3-5-18(17)28-25-10-11-26-28/h2-5,8-12,14,16,21H,6-7,13H2,1H3/t14-,16-/m1/s1
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n/an/a 194n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336789
PNG
((2-(2H-1,2,3-Triazol-2-yl)phenyl)((2R,5R)-5-((4-(f...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(OCF)ccn1
Show InChI InChI=1S/C21H22FN5O3/c1-15-6-7-17(30-20-12-16(29-14-22)8-9-23-20)13-26(15)21(28)18-4-2-3-5-19(18)27-24-10-11-25-27/h2-5,8-12,15,17H,6-7,13-14H2,1H3/t15-,17-/m1/s1
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n/an/a 490n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336784
PNG
(4-Methoxy-3-methyl-2-{[(3R,6R)-6-methyl-1-{[2-(2H-...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1C
Show InChI InChI=1S/C22H25N5O3/c1-15-8-9-17(30-21-16(2)20(29-3)10-11-23-21)14-26(15)22(28)18-6-4-5-7-19(18)27-24-12-13-25-27/h4-7,10-13,15,17H,8-9,14H2,1-3H3/t15-,17-/m1/s1
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n/an/a 568n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336751
PNG
(2-{[(3R,6R)-1- {[3-fluoro-2-(2H- 1,2,3-triazol-2-y...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(F)c2-n2nccn2)c1
Show InChI InChI=1S/C21H22FN5O3/c1-14-6-7-16(30-19-12-15(29-2)8-9-23-19)13-26(14)21(28)17-4-3-5-18(22)20(17)27-24-10-11-25-27/h3-5,8-12,14,16H,6-7,13H2,1-2H3/t14-,16-/m1/s1
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n/an/a 576n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336777
PNG
(4-(Cyclopropyloxy)-2-{[(3R,6R)-6-methyl-1-{[2-(2H-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(OC2CC2)ccn1
Show InChI InChI=1S/C23H25N5O3/c1-16-6-7-19(31-22-14-18(10-11-24-22)30-17-8-9-17)15-27(16)23(29)20-4-2-3-5-21(20)28-25-12-13-26-28/h2-5,10-14,16-17,19H,6-9,15H2,1H3/t16-,19-/m1/s1
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n/an/a 581n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50084395
PNG
(CHEMBL3426144 | US9745284, 2)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1
Show InChI InChI=1S/C21H23N5O3/c1-15-7-8-17(29-20-13-16(28-2)9-10-22-20)14-25(15)21(27)18-5-3-4-6-19(18)26-23-11-12-24-26/h3-6,9-13,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1
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US Patent
n/an/a 617n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336747
PNG
(4-(1-methylethoxy)-2-{[(3R,6R)-6-methyl-1-{[2-(2H-...)
Show SMILES CC(C)Oc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1
Show InChI InChI=1S/C23H27N5O3/c1-16(2)30-18-10-11-24-22(14-18)31-19-9-8-17(3)27(15-19)23(29)20-6-4-5-7-21(20)28-25-12-13-26-28/h4-7,10-14,16-17,19H,8-9,15H2,1-3H3/t17-,19-/m1/s1
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n/an/a 669n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336755
PNG
(6-methoxy-3- ({(2R,5R)-5-[(4- methoxypyridin- 2-yl...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(OC)nc2-c2ccccc2)c1
Show InChI InChI=1S/C25H27N3O4/c1-17-9-10-20(32-23-15-19(30-2)13-14-26-23)16-28(17)25(29)21-11-12-22(31-3)27-24(21)18-7-5-4-6-8-18/h4-8,11-15,17,20H,9-10,16H2,1-3H3/t17-,20-/m1/s1
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n/an/a 746n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336745
PNG
(3-bromo-4-methoxy-2-{[(3R,6R)-6- methyl-1-{[2-(2H-...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1Br
Show InChI InChI=1S/C21H22BrN5O3/c1-14-7-8-15(30-20-19(22)18(29-2)9-10-23-20)13-26(14)21(28)16-5-3-4-6-17(16)27-24-11-12-25-27/h3-6,9-12,14-15H,7-8,13H2,1-2H3/t14-,15-/m1/s1
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n/an/a 843n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336743
PNG
(4-Ethoxy-2-{[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3-tria...)
Show SMILES CCOc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1
Show InChI InChI=1S/C22H25N5O3/c1-3-29-17-10-11-23-21(14-17)30-18-9-8-16(2)26(15-18)22(28)19-6-4-5-7-20(19)27-24-12-13-25-27/h4-7,10-14,16,18H,3,8-9,15H2,1-2H3/t16-,18-/m1/s1
PDB

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n/an/a 859n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336801
PNG
(((2R,5R)-5-(4-Ethoxypyridin-2-yloxy)-2-methylpiper...)
Show SMILES CCOc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccsc2-c2ncccn2)c1
Show InChI InChI=1S/C22H24N4O3S/c1-3-28-16-7-11-23-19(13-16)29-17-6-5-15(2)26(14-17)22(27)18-8-12-30-20(18)21-24-9-4-10-25-21/h4,7-13,15,17H,3,5-6,14H2,1-2H3/t15-,17-/m1/s1
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n/an/a 899n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336752
PNG
(2-({(3R,6R)-1-[(2- cyclopropylphenyl) carbonyl]-6-...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2C2CC2)c1
Show InChI InChI=1S/C22H26N2O3/c1-15-7-10-18(27-21-13-17(26-2)11-12-23-21)14-24(15)22(25)20-6-4-3-5-19(20)16-8-9-16/h3-6,11-13,15-16,18H,7-10,14H2,1-2H3/t15-,18-/m1/s1
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n/an/a 938n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336787
PNG
(1-(4-methoxy-2- {[(3R,6R)-6- methyl-1-{[2-(2H- 1,2...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1C(C)=O
Show InChI InChI=1S/C23H25N5O4/c1-15-8-9-17(32-22-21(16(2)29)20(31-3)10-11-24-22)14-27(15)23(30)18-6-4-5-7-19(18)28-25-12-13-26-28/h4-7,10-13,15,17H,8-9,14H2,1-3H3/t15-,17-/m1/s1
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n/an/a 976n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336790
PNG
((2-(2H-1,2,3-Triazol-2-yl)thiophen-3-yl)((2R,5R)-5...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-n1nccn1)Oc1cc(OC(F)F)ccn1
Show InChI InChI=1S/C19H19F2N5O3S/c1-12-2-3-14(28-16-10-13(4-6-22-16)29-19(20)21)11-25(12)17(27)15-5-9-30-18(15)26-23-7-8-24-26/h4-10,12,14,19H,2-3,11H2,1H3/t12-,14-/m1/s1
PDB

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n/an/a 1.02E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336794
PNG
(((2R,5R)-5-((4-Methoxypyridin-2-yl)oxy)-2-methylpi...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccsc2-c2ncccn2)c1
Show InChI InChI=1S/C21H22N4O3S/c1-14-4-5-16(28-18-12-15(27-2)6-10-22-18)13-25(14)21(26)17-7-11-29-19(17)20-23-8-3-9-24-20/h3,6-12,14,16H,4-5,13H2,1-2H3/t14-,16-/m1/s1
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n/an/a 1.11E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336792
PNG
(1-(2-{[(2R,5R)- 5-{[4- (difluoromethoxy) pyridin-2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)Oc1cc(OC(F)F)ccn1
Show InChI InChI=1S/C23H23F2N3O3/c1-15-6-7-17(30-20-12-16(8-11-27-20)31-22(24)25)13-28(15)21(29)18-4-2-3-5-19(18)23(14-26)9-10-23/h2-5,8,11-12,15,17,22H,6-7,9-10,13H2,1H3/t15-,17-/m1/s1
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n/an/a 1.15E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336798
PNG
(4-ethoxy-2-{[(3R,6R)-6- methyl-1-{[2-(2H-1,2,3- tr...)
Show SMILES CCOc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccsc2-n2nccn2)c1
Show InChI InChI=1S/C20H23N5O3S/c1-3-27-15-6-8-21-18(12-15)28-16-5-4-14(2)24(13-16)19(26)17-7-11-29-20(17)25-22-9-10-23-25/h6-12,14,16H,3-5,13H2,1-2H3/t14-,16-/m1/s1
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n/an/a 1.16E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336749
PNG
(4-(1- methylethoxy)- 2-{[(3R,6R)-6- methyl-1-{[2- ...)
Show SMILES CC(C)Oc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2ncnn2)c1
Show InChI InChI=1S/C22H26N6O3/c1-15(2)30-17-10-11-23-21(12-17)31-18-9-8-16(3)27(13-18)22(29)19-6-4-5-7-20(19)28-25-14-24-26-28/h4-7,10-12,14-16,18H,8-9,13H2,1-3H3/t16-,18-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336795
PNG
(4-methoxy-2- {[(3R,6R)-6-methyl-1- {[2-(2H-1,2,3-t...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccsc2-n2nccn2)c1
Show InChI InChI=1S/C19H21N5O3S/c1-13-3-4-15(27-17-11-14(26-2)5-7-20-17)12-23(13)18(25)16-6-10-28-19(16)24-21-8-9-22-24/h5-11,13,15H,3-4,12H2,1-2H3/t13-,15-/m1/s1
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n/an/a 1.26E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336766
PNG
((2-(2H-1,2,3-triazol-2- yl)phenyl)((2R,5R)-2- meth...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(OCC(F)(F)F)ccn1
Show InChI InChI=1S/C22H22F3N5O3/c1-15-6-7-17(33-20-12-16(8-9-26-20)32-14-22(23,24)25)13-29(15)21(31)18-4-2-3-5-19(18)30-27-10-11-28-30/h2-5,8-12,15,17H,6-7,13-14H2,1H3/t15-,17-/m1/s1
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n/an/a 1.35E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336765
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,5R)-5-((4-(2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C22H23F2N5O3/c1-15-6-7-17(32-21-12-16(8-9-25-21)31-14-20(23)24)13-28(15)22(30)18-4-2-3-5-19(18)29-26-10-11-27-29/h2-5,8-12,15,17,20H,6-7,13-14H2,1H3/t15-,17-/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
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336797
PNG
(4-(1-methylethoxy)-2- {[(3R,6R)-6-methyl-1-{[2- (2...)
Show SMILES CC(C)Oc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccsc2-n2nccn2)c1
Show InChI InChI=1S/C21H25N5O3S/c1-14(2)28-16-6-8-22-19(12-16)29-17-5-4-15(3)25(13-17)20(27)18-7-11-30-21(18)26-23-9-10-24-26/h6-12,14-15,17H,4-5,13H2,1-3H3/t15-,17-/m1/s1
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n/an/a 1.48E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336756
PNG
(2-{[(3R,6R)-1- {[2-fluoro-6-(2H- 1,2,3-triazol-2-y...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-n2nccn2)c1
Show InChI InChI=1S/C21H22FN5O3/c1-14-6-7-16(30-19-12-15(29-2)8-9-23-19)13-26(14)21(28)20-17(22)4-3-5-18(20)27-24-10-11-25-27/h3-5,8-12,14,16H,6-7,13H2,1-2H3/t14-,16-/m1/s1
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n/an/a 1.61E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336780
PNG
(2-(2-{[(2R,5R)-2-Methyl-5-{[4-(1-methylethoxy)pyri...)
Show SMILES CC(C)Oc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2ncccn2)c1
Show InChI InChI=1S/C25H28N4O3/c1-17(2)31-19-11-14-26-23(15-19)32-20-10-9-18(3)29(16-20)25(30)22-8-5-4-7-21(22)24-27-12-6-13-28-24/h4-8,11-15,17-18,20H,9-10,16H2,1-3H3/t18-,20-/m1/s1
PDB

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n/an/a 1.64E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336793
PNG
(4-(difluoromethoxy)- 2-{[(3R,6R)-6- methyl-1-{[2-(...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)Oc1cc(OC(F)F)ccn1
Show InChI InChI=1S/C20H20F2N6O3/c1-13-6-7-15(30-18-10-14(8-9-23-18)31-20(21)22)11-27(13)19(29)16-4-2-3-5-17(16)28-25-12-24-26-28/h2-5,8-10,12-13,15,20H,6-7,11H2,1H3/t13-,15-/m1/s1
PDB

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n/an/a 1.69E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336753
PNG
(4-methoxy-2- {[(3R,6R)-6- methyl-1-{[2- (trifluoro...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C20H21F3N2O3/c1-13-7-8-15(28-18-11-14(27-2)9-10-24-18)12-25(13)19(26)16-5-3-4-6-17(16)20(21,22)23/h3-6,9-11,13,15H,7-8,12H2,1-2H3/t13-,15-/m1/s1
PDB

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n/an/a 1.76E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336791
PNG
(4-(difluoromethoxy)- 2-{[(3R,6R)- 6-methyl-1- {[4-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cscc1-n1nccn1)Oc1cc(OC(F)F)ccn1
Show InChI InChI=1S/C19H19F2N5O3S/c1-12-2-3-14(28-17-8-13(4-5-22-17)29-19(20)21)9-25(12)18(27)15-10-30-11-16(15)26-23-6-7-24-26/h4-8,10-12,14,19H,2-3,9H2,1H3/t12-,14-/m1/s1
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n/an/a 1.76E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336758
PNG
(2-{[(3R,6R)-1- {[4-fluoro-2-(2H- 1,2,3-triazol-2-y...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-n2nccn2)c1
Show InChI InChI=1S/C21H22FN5O3/c1-14-3-5-17(30-20-12-16(29-2)7-8-23-20)13-26(14)21(28)18-6-4-15(22)11-19(18)27-24-9-10-25-27/h4,6-12,14,17H,3,5,13H2,1-2H3/t14-,17-/m1/s1
PDB

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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336746
PNG
(4-(benzyloxy)-2-{[(3R,6R)-6- methyl-1-{[2-(2H-1,2,...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(OCc2ccccc2)ccn1
Show InChI InChI=1S/C27H27N5O3/c1-20-11-12-23(35-26-17-22(13-14-28-26)34-19-21-7-3-2-4-8-21)18-31(20)27(33)24-9-5-6-10-25(24)32-29-15-16-30-32/h2-10,13-17,20,23H,11-12,18-19H2,1H3/t20-,23-/m1/s1
PDB

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n/an/a 1.85E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336754
PNG
(2-({(3R,6R)-1-[(2- ethoxyphenyl) carbonyl]-6- meth...)
Show SMILES CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)Oc1cc(OC)ccn1
Show InChI InChI=1S/C21H26N2O4/c1-4-26-19-8-6-5-7-18(19)21(24)23-14-17(10-9-15(23)2)27-20-13-16(25-3)11-12-22-20/h5-8,11-13,15,17H,4,9-10,14H2,1-3H3/t15-,17-/m1/s1
PDB

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n/an/a 1.98E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336750
PNG
(4-ethoxy-2- {[(3R,6R)-6- methyl-1-{[2- (2H-tetrazo...)
Show SMILES CCOc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2ncnn2)c1
Show InChI InChI=1S/C21H24N6O3/c1-3-29-16-10-11-22-20(12-16)30-17-9-8-15(2)26(13-17)21(28)18-6-4-5-7-19(18)27-24-14-23-25-27/h4-7,10-12,14-15,17H,3,8-9,13H2,1-2H3/t15-,17-/m1/s1
PDB

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n/an/a 2.01E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336796
PNG
((2-(2H-1,2,3-Triazol-2-yl)thiophen-3-yl)((2R,5R)-5...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-n1nccn1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C20H21F2N5O3S/c1-13-2-3-15(30-18-10-14(4-6-23-18)29-12-17(21)22)11-26(13)19(28)16-5-9-31-20(16)27-24-7-8-25-27/h4-10,13,15,17H,2-3,11-12H2,1H3/t13-,15-/m1/s1
PDB

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n/an/a 2.02E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336802
PNG
(2-(3-{[(2R,5R)-2- methyl-5-{[4-(2,2,2- trifluoroet...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)Oc1cc(OCC(F)(F)F)ccn1
Show InChI InChI=1S/C22H21F3N4O3S/c1-14-3-4-16(32-18-11-15(5-9-26-18)31-13-22(23,24)25)12-29(14)21(30)17-6-10-33-19(17)20-27-7-2-8-28-20/h2,5-11,14,16H,3-4,12-13H2,1H3/t14-,16-/m1/s1
PDB

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n/an/a 2.08E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336772
PNG
(4-(2,2-difluoroethoxy)-2- {[(3R,6R)-1-{[3-fluoro-2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccc(F)c1-n1nccn1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C22H22F3N5O3/c1-14-5-6-16(33-20-11-15(7-8-26-20)32-13-19(24)25)12-29(14)22(31)17-3-2-4-18(23)21(17)30-27-9-10-28-30/h2-4,7-11,14,16,19H,5-6,12-13H2,1H3/t14-,16-/m1/s1
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n/an/a 2.14E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336761
PNG
(2-{[(3R,6R)-1- {[4-fluoro-2-(2H- 1,2,3-triazol-2-y...)
Show SMILES CC(C)Oc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-n2nccn2)c1
Show InChI InChI=1S/C23H26FN5O3/c1-15(2)31-18-8-9-25-22(13-18)32-19-6-4-16(3)28(14-19)23(30)20-7-5-17(24)12-21(20)29-26-10-11-27-29/h5,7-13,15-16,19H,4,6,14H2,1-3H3/t16-,19-/m1/s1
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n/an/a 2.15E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336748
PNG
(4-methoxy-2-{[(3R,6R)-6-methyl-1-{[4-(2H-1,2,3-tri...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cnccc2-n2nccn2)c1
Show InChI InChI=1S/C20H22N6O3/c1-14-3-4-16(29-19-11-15(28-2)5-8-22-19)13-25(14)20(27)17-12-21-7-6-18(17)26-23-9-10-24-26/h5-12,14,16H,3-4,13H2,1-2H3/t14-,16-/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
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336764
PNG
(2-{[(3R,6R)-1- {[5-fluoro-2-(2H- 1,2,3-triazol-2-y...)
Show SMILES CC(C)Oc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-n2nccn2)c1
Show InChI InChI=1S/C23H26FN5O3/c1-15(2)31-18-8-9-25-22(13-18)32-19-6-4-16(3)28(14-19)23(30)20-12-17(24)5-7-21(20)29-26-10-11-27-29/h5,7-13,15-16,19H,4,6,14H2,1-3H3/t16-,19-/m1/s1
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n/an/a 2.48E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336779
PNG
(2-{[(3R,6R)-6-methyl-1-{[2-(2H- 1,2,3-triazol-2- y...)
Show SMILES CCCOc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1
Show InChI InChI=1S/C23H27N5O3/c1-3-14-30-18-10-11-24-22(15-18)31-19-9-8-17(2)27(16-19)23(29)20-6-4-5-7-21(20)28-25-12-13-26-28/h4-7,10-13,15,17,19H,3,8-9,14,16H2,1-2H3/t17-,19-/m1/s1
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n/an/a 2.49E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336776
PNG
(4-(2,2-difluoroethoxy)-2- {[(3R,6R)-6-methyl-1-{[2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1noc(C)n1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C23H24F2N4O4/c1-14-7-8-17(32-21-11-16(9-10-26-21)31-13-20(24)25)12-29(14)23(30)19-6-4-3-5-18(19)22-27-15(2)33-28-22/h3-6,9-11,14,17,20H,7-8,12-13H2,1-2H3/t14-,17-/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336775
PNG
(4-(2,2-difluoroethoxy)-2- {[(3R,6R)-6-methyl-1-{[2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1nc(C)no1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C23H24F2N4O4/c1-14-7-8-17(32-21-11-16(9-10-26-21)31-13-20(24)25)12-29(14)23(30)19-6-4-3-5-18(19)22-27-15(2)28-33-22/h3-6,9-11,14,17,20H,7-8,12-13H2,1-2H3/t14-,17-/m1/s1
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n/an/a 2.72E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336781
PNG
(2-(2-{[(2R,5R)-5-{[4-(2,2- difluoroethoxy)pyridin-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ncccn1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C24H24F2N4O3/c1-16-7-8-18(33-22-13-17(9-12-27-22)32-15-21(25)26)14-30(16)24(31)20-6-3-2-5-19(20)23-28-10-4-11-29-23/h2-6,9-13,16,18,21H,7-8,14-15H2,1H3/t16-,18-/m1/s1
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n/an/a 2.94E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336774
PNG
(4-(2,2-difluoroethoxy)-2- {[(3R,6R)-1-{[2-fluoro-6...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1c(F)cccc1-n1nccn1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C22H22F3N5O3/c1-14-5-6-16(33-20-11-15(7-8-26-20)32-13-19(24)25)12-29(14)22(31)21-17(23)3-2-4-18(21)30-27-9-10-28-30/h2-4,7-11,14,16,19H,5-6,12-13H2,1H3/t14-,16-/m1/s1
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n/an/a 2.97E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336773
PNG
(4-(2,2-difluoroethoxy)-2- {[(3R,6R)-1-{[4-fluoro-2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-n1nccn1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C22H22F3N5O3/c1-14-2-4-17(33-21-11-16(6-7-26-21)32-13-20(24)25)12-29(14)22(31)18-5-3-15(23)10-19(18)30-27-8-9-28-30/h3,5-11,14,17,20H,2,4,12-13H2,1H3/t14-,17-/m1/s1
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n/an/a 3.27E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336782
PNG
(2-(2-{[(2R,5R)-5-{[4-(2,2- difluoroethoxy)pyridin-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-c1ncccn1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C24H23F3N4O3/c1-15-3-5-18(34-22-12-17(7-10-28-22)33-14-21(26)27)13-31(15)24(32)19-6-4-16(25)11-20(19)23-29-8-2-9-30-23/h2,4,6-12,15,18,21H,3,5,13-14H2,1H3/t15-,18-/m1/s1
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n/an/a 3.52E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336770
PNG
(1-(2-{[(2R,5R)-5-{[4-(2,2- difluoroethoxy)pyridin-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C24H25F2N3O3/c1-16-6-7-18(32-22-12-17(8-11-28-22)31-14-21(25)26)13-29(16)23(30)19-4-2-3-5-20(19)24(15-27)9-10-24/h2-5,8,11-12,16,18,21H,6-7,9-10,13-14H2,1H3/t16-,18-/m1/s1
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n/an/a 4.36E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336800
PNG
(((2R,5R)-5-((4-(2,2-Difluoroethoxy)pyridin-2-yl)ox...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-c1ncccn1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C22H22F2N4O3S/c1-14-3-4-16(31-19-11-15(5-9-25-19)30-13-18(23)24)12-28(14)22(29)17-6-10-32-20(17)21-26-7-2-8-27-21/h2,5-11,14,16,18H,3-4,12-13H2,1H3/t14-,16-/m1/s1
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n/an/a 5.21E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336778
PNG
(4-(2-methylpropoxy)-2-{[(3R,6R)-6- methyl-1-{[2-(2...)
Show SMILES CC(C)COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1
Show InChI InChI=1S/C24H29N5O3/c1-17(2)16-31-19-10-11-25-23(14-19)32-20-9-8-18(3)28(15-20)24(30)21-6-4-5-7-22(21)29-26-12-13-27-29/h4-7,10-14,17-18,20H,8-9,15-16H2,1-3H3/t18-,20-/m1/s1
PDB

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n/an/a 5.61E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336786
PNG
(4-Methoxy-2-{[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3-tri...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1C=O
Show InChI InChI=1S/C22H23N5O4/c1-15-7-8-16(31-21-18(14-28)20(30-2)9-10-23-21)13-26(15)22(29)17-5-3-4-6-19(17)27-24-11-12-25-27/h3-6,9-12,14-16H,7-8,13H2,1-2H3/t15-,16-/m1/s1
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n/an/a 6.75E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336767
PNG
(4-(2,2-difluoroethoxy)-2- {[(3R,6R)-6-methyl-1-{[2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C21H22F2N6O3/c1-14-6-7-16(32-20-10-15(8-9-24-20)31-12-19(22)23)11-28(14)21(30)17-4-2-3-5-18(17)29-26-13-25-27-29/h2-5,8-10,13-14,16,19H,6-7,11-12H2,1H3/t14-,16-/m1/s1
PDB

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n/an/a 8.07E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336760
PNG
(2-cyclopropyl- 6-methoxy-3- ({(2R,5R)-5-[(4- metho...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(OC)nc2C2CC2)c1
Show InChI InChI=1S/C22H27N3O4/c1-14-4-7-17(29-20-12-16(27-2)10-11-23-20)13-25(14)22(26)18-8-9-19(28-3)24-21(18)15-5-6-15/h8-12,14-15,17H,4-7,13H2,1-3H3/t14-,17-/m1/s1
PDB

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n/an/a 8.19E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336799
PNG
(2-{[(3R,6R)-6-methyl-1- {[2-(2H-1,2,3-triazol-2- y...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccsc1-n1nccn1)Oc1cc(OCC(F)(F)F)ccn1
Show InChI InChI=1S/C20H20F3N5O3S/c1-13-2-3-15(31-17-10-14(4-6-24-17)30-12-20(21,22)23)11-27(13)18(29)16-5-9-32-19(16)28-25-7-8-26-28/h4-10,13,15H,2-3,11-12H2,1H3/t13-,15-/m1/s1
PDB

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n/an/a 8.38E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336783
PNG
(2-(2-{[(2R,5R)-5-{[4-(2,2- difluoroethoxy)pyridin-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ncccc1-c1ncccn1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C23H23F2N5O3/c1-15-5-6-17(33-20-12-16(7-11-26-20)32-14-19(24)25)13-30(15)23(31)21-18(4-2-8-27-21)22-28-9-3-10-29-22/h2-4,7-12,15,17,19H,5-6,13-14H2,1H3/t15-,17-/m1/s1
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n/an/a 9.27E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336757
PNG
(6-methoxy-3- ({(2R,5R)-5-[(4- methoxypyridin- 2-yl...)
Show SMILES COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Oc2cc(OC(C)C)ccn2)c(n1)-n1nccn1
Show InChI InChI=1S/C23H28N6O4/c1-15(2)32-17-9-10-24-21(13-17)33-18-6-5-16(3)28(14-18)23(30)19-7-8-20(31-4)27-22(19)29-25-11-12-26-29/h7-13,15-16,18H,5-6,14H2,1-4H3/t16-,18-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336785
PNG
(2,4-Dimethoxy-6-{[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3...)
Show SMILES COc1cc(OC)nc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1
Show InChI InChI=1S/C22H25N5O4/c1-15-8-9-16(31-21-13-17(29-2)12-20(25-21)30-3)14-26(15)22(28)18-6-4-5-7-19(18)27-23-10-11-24-27/h4-7,10-13,15-16H,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
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336768
PNG
(2-{[(3R,6R)-6-methyl-1-{[2- (2H-tetrazol-2- yl)phe...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)Oc1cc(OCC(F)(F)F)ccn1
Show InChI InChI=1S/C21H21F3N6O3/c1-14-6-7-16(33-19-10-15(8-9-25-19)32-12-21(22,23)24)11-29(14)20(31)17-4-2-3-5-18(17)30-27-13-26-28-30/h2-5,8-10,13-14,16H,6-7,11-12H2,1H3/t14-,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
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336757
PNG
(6-methoxy-3- ({(2R,5R)-5-[(4- methoxypyridin- 2-yl...)
Show SMILES COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Oc2cc(OC(C)C)ccn2)c(n1)-n1nccn1
Show InChI InChI=1S/C23H28N6O4/c1-15(2)32-17-9-10-24-21(13-17)33-18-6-5-16(3)28(14-18)23(30)19-7-8-20(31-4)27-22(19)29-25-11-12-26-29/h7-13,15-16,18H,5-6,14H2,1-4H3/t16-,18-/m1/s1
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Merck Sharp & Dohme Corp

US Patent


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


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336771
PNG
(2-{[(2R,5R)-5-{[4-(2,2- difluoroethoxy)pyridin-2- ...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ncccc1-n1nccn1)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C21H22F2N6O3/c1-14-4-5-16(32-19-11-15(6-8-24-19)31-13-18(22)23)12-28(14)21(30)20-17(3-2-7-25-20)29-26-9-10-27-29/h2-3,6-11,14,16,18H,4-5,12-13H2,1H3/t14-,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
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336769
PNG
(4-(2,2-difluoroethoxy)-2- {[(3R,6R)-6-methyl-1-({2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1CS(C)(=O)=O)Oc1cc(OCC(F)F)ccn1
Show InChI InChI=1S/C22H26F2N2O5S/c1-15-7-8-18(31-21-11-17(9-10-25-21)30-13-20(23)24)12-26(15)22(27)19-6-4-3-5-16(19)14-32(2,28)29/h3-6,9-11,15,18,20H,7-8,12-14H2,1-2H3/t15-,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
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336762
PNG
(2-{[(3R,6R)-1- {[4-methoxy-2- (2H-1,2,3-triazol- 2...)
Show SMILES COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Oc2cc(OC(C)C)ccn2)c(c1)-n1nccn1
Show InChI InChI=1S/C24H29N5O4/c1-16(2)32-19-9-10-25-23(14-19)33-20-6-5-17(3)28(15-20)24(30)21-8-7-18(31-4)13-22(21)29-26-11-12-27-29/h7-14,16-17,20H,5-6,15H2,1-4H3/t17-,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
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM336759
PNG
(4-methoxy-2- {[(3R,6R)-1-{[4- methoxy-2-(2H- 1,2,3...)
Show SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(OC)cc2-n2nccn2)c1
Show InChI InChI=1S/C22H25N5O4/c1-15-4-5-18(31-21-13-17(30-3)8-9-23-21)14-26(15)22(28)19-7-6-16(29-2)12-20(19)27-24-10-11-25-27/h6-13,15,18H,4-5,14H2,1-3H3/t15-,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
In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with th...


US Patent US9745284 (2017)


BindingDB Entry DOI: 10.7270/Q2X92DD6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%