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Patent code US9975876

Compile Data Set for Download or QSAR
Found 63 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394203
PNG
(US9975876, 28)
Show SMILES CCOC(=O)c1c(OCC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1ncnn1
Show InChI InChI=1S/C24H28N6O5/c1-4-33-20-12-13-25-22(21(20)24(32)34-5-2)35-17-11-10-16(3)29(14-17)23(31)18-8-6-7-9-19(18)30-27-15-26-28-30/h6-9,12-13,15-17H,4-5,10-11,14H2,1-3H3/t16-,17-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394200
PNG
(US9975876, 25 | ethyl 4-methoxy-2-{[(3R,6R)-6- met...)
Show SMILES CCOC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C24H27N5O5/c1-4-33-24(31)21-20(32-3)11-12-25-22(21)34-17-10-9-16(2)28(15-17)23(30)18-7-5-6-8-19(18)29-26-13-14-27-29/h5-8,11-14,16-17H,4,9-10,15H2,1-3H3/t16-,17-/m1/s1
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n/an/a 19.3n/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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394205
PNG
(US9975876, 30)
Show SMILES CCOc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2ncnn2)c1C(=O)OC
Show InChI InChI=1S/C23H26N6O5/c1-4-33-19-11-12-24-21(20(19)23(31)32-3)34-16-10-9-15(2)28(13-16)22(30)17-7-5-6-8-18(17)29-26-14-25-27-29/h5-8,11-12,14-16H,4,9-10,13H2,1-3H3/t15-,16-/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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394206
PNG
(US9975876, 31)
Show SMILES COC(=O)c1c(OC)cccc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C24H26N4O5/c1-16-11-12-17(33-21-10-6-9-20(31-2)22(21)24(30)32-3)15-27(16)23(29)18-7-4-5-8-19(18)28-25-13-14-26-28/h4-10,13-14,16-17H,11-12,15H2,1-3H3/t16-,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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394185
PNG
(US9975876, 7 | methyl 2-{[(3R,6R)-1-{[5-fluoro-2- ...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1S/C23H24FN5O5/c1-14-4-6-16(34-21-20(23(31)33-3)19(32-2)8-9-25-21)13-28(14)22(30)17-12-15(24)5-7-18(17)29-26-10-11-27-29/h5,7-12,14,16H,4,6,13H2,1-3H3/t14-,16-/m1/s1
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n/an/a 27.6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394199
PNG
(US9975876, 23)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1ncnn1
Show InChI InChI=1S/C22H24N6O5/c1-14-8-9-15(33-20-19(22(30)32-3)18(31-2)10-11-23-20)12-27(14)21(29)16-6-4-5-7-17(16)28-25-13-24-26-28/h4-7,10-11,13-15H,8-9,12H2,1-3H3/t14-,15-/m1/s1
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n/an/a 27.7n/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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394189
PNG
(US9975876, 11 | methyl 2-{[(3R,6R)-1-{[3-fluoro-2-...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cccc(F)c1-c1noc(C)n1
Show InChI InChI=1S/C24H25FN4O6/c1-13-8-9-15(34-22-20(24(31)33-4)18(32-3)10-11-26-22)12-29(13)23(30)16-6-5-7-17(25)19(16)21-27-14(2)35-28-21/h5-7,10-11,13,15H,8-9,12H2,1-4H3/t13-,15-/m1/s1
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n/an/a 31.8n/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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM341136
PNG
(US9765057, 3 | US9975876, 1 | methyl 4-(methylsulf...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H25N5O5/c1-15-8-9-16(33-21-20(23(30)32-3)19(31-2)10-11-24-21)14-27(15)22(29)17-6-4-5-7-18(17)28-25-12-13-26-28/h4-7,10-13,15-16H,8-9,14H2,1-3H3/t15-,16-/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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394181
PNG
(US9975876, 3 | methyl 2-{[3R,6R)-1-{[4-chloro-2- (...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccc(Cl)cc1-n1nccn1
Show InChI InChI=1S/C23H24ClN5O5/c1-14-4-6-16(34-21-20(23(31)33-3)19(32-2)8-9-25-21)13-28(14)22(30)17-7-5-15(24)12-18(17)29-26-10-11-27-29/h5,7-12,14,16H,4,6,13H2,1-3H3/t14-,16-/m1/s1
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n/an/a 33.6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394191
PNG
(US9975876, 13 | methyl 2-{[(3R,6R)-1-{[5-fluoro-2-...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cc(F)ccc1-c1nc(C)no1
Show InChI InChI=1S/C24H25FN4O6/c1-13-5-7-16(34-22-20(24(31)33-4)19(32-3)9-10-26-22)12-29(13)23(30)18-11-15(25)6-8-17(18)21-27-14(2)28-35-21/h6,8-11,13,16H,5,7,12H2,1-4H3/t13-,16-/m1/s1
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n/an/a 34.6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394210
PNG
(US9975876, 35 | methyl 2-methoxy-6-({(3R,6R)-6- me...)
Show SMILES COC(=O)c1c(OC)cccc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-c1ncccn1
Show InChI InChI=1S/C26H27N3O5/c1-17-12-13-18(34-22-11-6-10-21(32-2)23(22)26(31)33-3)16-29(17)25(30)20-9-5-4-8-19(20)24-27-14-7-15-28-24/h4-11,14-15,17-18H,12-13,16H2,1-3H3/t17-,18-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394187
PNG
(US9975876, 9 | methyl 2-{[3R,6R)-1-{[5-fluoro-2- (...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cc(F)ccc1-c1noc(C)n1
Show InChI InChI=1S/C24H25FN4O6/c1-13-5-7-16(34-22-20(24(31)33-4)19(32-3)9-10-26-22)12-29(13)23(30)18-11-15(25)6-8-17(18)21-27-14(2)35-28-21/h6,8-11,13,16H,5,7,12H2,1-4H3/t13-,16-/m1/s1
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n/an/a 36.7n/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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394180
PNG
(US9975876, 19 | US9975876, 2)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cccc(F)c1-n1nccn1
Show InChI InChI=1S/C23H24FN5O5/c1-14-7-8-15(34-21-19(23(31)33-3)18(32-2)9-10-25-21)13-28(14)22(30)16-5-4-6-17(24)20(16)29-26-11-12-27-29/h4-6,9-12,14-15H,7-8,13H2,1-3H3/t14-,15-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394192
PNG
(US9975876, 14 | methyl 4-methoxy-2-{[(3R,6R)-6- me...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cccc(C)c1-n1nccn1
Show InChI InChI=1S/C24H27N5O5/c1-15-6-5-7-18(21(15)29-26-12-13-27-29)23(30)28-14-17(9-8-16(28)2)34-22-20(24(31)33-4)19(32-3)10-11-25-22/h5-7,10-13,16-17H,8-9,14H2,1-4H3/t16-,17-/m1/s1
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n/an/a 37.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394195
PNG
(US9975876, 18 | methyl 2-{[(3R,6R)-1-{[3-fluoro-2-...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cccc(F)c1-c1nc(C)no1
Show InChI InChI=1S/C24H25FN4O6/c1-13-8-9-15(34-21-20(24(31)33-4)18(32-3)10-11-26-21)12-29(13)23(30)16-6-5-7-17(25)19(16)22-27-14(2)28-35-22/h5-7,10-11,13,15H,8-9,12H2,1-4H3/t13-,15-/m1/s1
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n/an/a 39.5n/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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394201
PNG
(US9975876, 26 | ethyl 2-{[3R,6R)-1-{[3-fluoro-2-(2...)
Show SMILES CCOC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cccc(F)c1-n1nccn1
Show InChI InChI=1S/C24H26FN5O5/c1-4-34-24(32)20-19(33-3)10-11-26-22(20)35-16-9-8-15(2)29(14-16)23(31)17-6-5-7-18(25)21(17)30-27-12-13-28-30/h5-7,10-13,15-16H,4,8-9,14H2,1-3H3/t15-,16-/m1/s1
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n/an/a 39.6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394209
PNG
(US9975876, 34 | methyl 2-methoxy-6-({(3R,6R)-6- me...)
Show SMILES COC(=O)c1c(OC)cccc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccsc1-c1ncccn1
Show InChI InChI=1S/C24H25N3O5S/c1-15-8-9-16(32-19-7-4-6-18(30-2)20(19)24(29)31-3)14-27(15)23(28)17-10-13-33-21(17)22-25-11-5-12-26-22/h4-7,10-13,15-16H,8-9,14H2,1-3H3/t15-,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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394193
PNG
(US9975876, 15 | methyl 4-methoxy-2-{[(3R,6R)-1-{[4...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccc(OC)cc1-n1nccn1
Show InChI InChI=1S/C24H27N5O6/c1-15-5-6-17(35-22-21(24(31)34-4)20(33-3)9-10-25-22)14-28(15)23(30)18-8-7-16(32-2)13-19(18)29-26-11-12-27-29/h7-13,15,17H,5-6,14H2,1-4H3/t15-,17-/m1/s1
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n/an/a 51n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394194
PNG
(US9975876, 17 | methyl 4-methoxy-2-{[(3R,6R)-1-{[6...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccc(OC)nc1-n1nccn1
Show InChI InChI=1S/C23H26N6O6/c1-14-5-6-15(35-21-19(23(31)34-4)17(32-2)9-10-24-21)13-28(14)22(30)16-7-8-18(33-3)27-20(16)29-25-11-12-26-29/h7-12,14-15H,5-6,13H2,1-4H3/t14-,15-/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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394204
PNG
(US9975876, 29)
Show SMILES CCOC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1ncnn1
Show InChI InChI=1S/C23H26N6O5/c1-4-33-23(31)20-19(32-3)11-12-24-21(20)34-16-10-9-15(2)28(13-16)22(30)17-7-5-6-8-18(17)29-26-14-25-27-29/h5-8,11-12,14-16H,4,9-10,13H2,1-3H3/t15-,16-/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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394183
PNG
(US9975876, 5 | methyl 2-{[(3R,6R)-1-{[4-fluoro-2- ...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccc(F)cc1-c1nc(C)no1
Show InChI InChI=1S/C24H25FN4O6/c1-13-5-7-16(34-22-20(24(31)33-4)19(32-3)9-10-26-22)12-29(13)23(30)17-8-6-15(25)11-18(17)21-27-14(2)28-35-21/h6,8-11,13,16H,5,7,12H2,1-4H3/t13-,16-/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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394188
PNG
(US9975876, 10 | methyl 2-{[(3R,6R)-1-{[4-fluoro-2-...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccc(F)cc1-c1noc(C)n1
Show InChI InChI=1S/C24H25FN4O6/c1-13-5-7-16(34-22-20(24(31)33-4)19(32-3)9-10-26-22)12-29(13)23(30)17-8-6-15(25)11-18(17)21-27-14(2)35-28-21/h6,8-11,13,16H,5,7,12H2,1-4H3/t13-,16-/m1/s1
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n/an/a 58.7n/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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394207
PNG
(US9975876, 32 | methyl 2-methoxy-6-{[(3R,6R)-6- me...)
Show SMILES COC(=O)c1c(OC)cccc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccsc1-n1nccn1
Show InChI InChI=1S/C22H24N4O5S/c1-14-7-8-15(31-18-6-4-5-17(29-2)19(18)22(28)30-3)13-25(14)20(27)16-9-12-32-21(16)26-23-10-11-24-26/h4-6,9-12,14-15H,7-8,13H2,1-3H3/t14-,15-/m1/s1
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n/an/a 61n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394186
PNG
(US9975876, 8 | methyl 2-{[(3R,6R)-1-{[2-fluoro-6- ...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1c(F)cccc1-c1noc(C)n1
Show InChI InChI=1S/C24H25FN4O6/c1-13-8-9-15(34-22-20(24(31)33-4)18(32-3)10-11-26-22)12-29(13)23(30)19-16(6-5-7-17(19)25)21-27-14(2)35-28-21/h5-7,10-11,13,15H,8-9,12H2,1-4H3/t13-,15-/m1/s1
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n/an/a 71.1n/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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394197
PNG
(US9975876, 21 | methyl 2-({(3R,6R)-1-[(4-fluoro-2-...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccc(F)cc1-c1ncccn1
Show InChI InChI=1S/C25H25FN4O5/c1-15-5-7-17(35-23-21(25(32)34-3)20(33-2)9-12-29-23)14-30(15)24(31)18-8-6-16(26)13-19(18)22-27-10-4-11-28-22/h4,6,8-13,15,17H,5,7,14H2,1-3H3/t15-,17-/m1/s1
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n/an/a 71.2n/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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394184
PNG
(US9975876, 6 | methyl 2-{[(3R,6R)-1-{[2-fluoro-6- ...)
Show SMILES COC(=O)c1c(O)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H23N5O5/c1-14-7-8-15(32-20-19(22(30)31-2)18(28)9-10-23-20)13-26(14)21(29)16-5-3-4-6-17(16)27-24-11-12-25-27/h3-6,9-12,14-15H,7-8,13H2,1-2H3,(H,23,28)/t14-,15-/m1/s1
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n/an/a 82.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394180
PNG
(US9975876, 19 | US9975876, 2)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cccc(F)c1-n1nccn1
Show InChI InChI=1S/C23H24FN5O5/c1-14-7-8-15(34-21-19(23(31)33-3)18(32-2)9-10-25-21)13-28(14)22(30)16-5-4-6-17(24)20(16)29-26-11-12-27-29/h4-6,9-12,14-15H,7-8,13H2,1-3H3/t14-,15-/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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394198
PNG
(US9975876, 22 | methyl 2-({(3R,6R)-1-[(3-fluoro-2-...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cccc(F)c1-c1ncccn1
Show InChI InChI=1S/C25H25FN4O5/c1-15-8-9-16(35-23-21(25(32)34-3)19(33-2)10-13-29-23)14-30(15)24(31)17-6-4-7-18(26)20(17)22-27-11-5-12-28-22/h4-7,10-13,15-16H,8-9,14H2,1-3H3/t15-,16-/m1/s1
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n/an/a 117n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394202
PNG
(US9975876, 27)
Show SMILES CCOc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1C(=O)OC
Show InChI InChI=1S/C24H27N5O5/c1-4-33-20-11-12-25-22(21(20)24(31)32-3)34-17-10-9-16(2)28(15-17)23(30)18-7-5-6-8-19(18)29-26-13-14-27-29/h5-8,11-14,16-17H,4,9-10,15H2,1-3H3/t16-,17-/m1/s1
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n/an/a 167n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394208
PNG
(US9975876, 33 | methyl 2-methoxy-6-{[(3R,6R)-6- me...)
Show SMILES COC(=O)c1c(OC)cccc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1ncnn1
Show InChI InChI=1S/C23H25N5O5/c1-15-11-12-16(33-20-10-6-9-19(31-2)21(20)23(30)32-3)13-27(15)22(29)17-7-4-5-8-18(17)28-25-14-24-26-28/h4-10,14-16H,11-13H2,1-3H3/t15-,16-/m1/s1
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n/an/a 202n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM394182
PNG
(US9975876, 4 | methyl 2-{[(3R,6R)-1-{[4-fluoro-2- ...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccc(F)cc1-n1nccn1
Show InChI InChI=1S/C23H24FN5O5/c1-14-4-6-16(34-21-20(23(31)33-3)19(32-2)8-9-25-21)13-28(14)22(30)17-7-5-15(24)12-18(17)29-26-10-11-27-29/h5,7-12,14,16H,4,6,13H2,1-3H3/t14-,16-/m1/s1
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n/an/a 764n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394192
PNG
(US9975876, 14 | methyl 4-methoxy-2-{[(3R,6R)-6- me...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cccc(C)c1-n1nccn1
Show InChI InChI=1S/C24H27N5O5/c1-15-6-5-7-18(21(15)29-26-12-13-27-29)23(30)28-14-17(9-8-16(28)2)34-22-20(24(31)33-4)19(32-3)10-11-25-22/h5-7,10-13,16-17H,8-9,14H2,1-4H3/t16-,17-/m1/s1
PDB

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n/an/a 777n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394200
PNG
(US9975876, 25 | ethyl 4-methoxy-2-{[(3R,6R)-6- met...)
Show SMILES CCOC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C24H27N5O5/c1-4-33-24(31)21-20(32-3)11-12-25-22(21)34-17-10-9-16(2)28(15-17)23(30)18-7-5-6-8-19(18)29-26-13-14-27-29/h5-8,11-14,16-17H,4,9-10,15H2,1-3H3/t16-,17-/m1/s1
PDB

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n/an/a 814n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394195
PNG
(US9975876, 18 | methyl 2-{[(3R,6R)-1-{[3-fluoro-2-...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cccc(F)c1-c1nc(C)no1
Show InChI InChI=1S/C24H25FN4O6/c1-13-8-9-15(34-21-20(24(31)33-4)18(32-3)10-11-26-21)12-29(13)23(30)16-6-5-7-17(25)19(16)22-27-14(2)28-35-22/h5-7,10-11,13,15H,8-9,12H2,1-4H3/t13-,15-/m1/s1
PDB

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n/an/a 932n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394191
PNG
(US9975876, 13 | methyl 2-{[(3R,6R)-1-{[5-fluoro-2-...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cc(F)ccc1-c1nc(C)no1
Show InChI InChI=1S/C24H25FN4O6/c1-13-5-7-16(34-22-20(24(31)33-4)19(32-3)9-10-26-22)12-29(13)23(30)18-11-15(25)6-8-17(18)21-27-14(2)28-35-21/h6,8-11,13,16H,5,7,12H2,1-4H3/t13-,16-/m1/s1
PDB

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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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM341136
PNG
(US9765057, 3 | US9975876, 1 | methyl 4-(methylsulf...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H25N5O5/c1-15-8-9-16(33-21-20(23(30)32-3)19(31-2)10-11-24-21)14-27(15)22(29)17-6-4-5-7-18(17)28-25-12-13-26-28/h4-7,10-13,15-16H,8-9,14H2,1-3H3/t15-,16-/m1/s1
PDB

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n/an/a 1.34E+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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394181
PNG
(US9975876, 3 | methyl 2-{[3R,6R)-1-{[4-chloro-2- (...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccc(Cl)cc1-n1nccn1
Show InChI InChI=1S/C23H24ClN5O5/c1-14-4-6-16(34-21-20(23(31)33-3)19(32-2)8-9-25-21)13-28(14)22(30)17-7-5-15(24)12-18(17)29-26-10-11-27-29/h5,7-12,14,16H,4,6,13H2,1-3H3/t14-,16-/m1/s1
PDB

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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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394185
PNG
(US9975876, 7 | methyl 2-{[(3R,6R)-1-{[5-fluoro-2- ...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1S/C23H24FN5O5/c1-14-4-6-16(34-21-20(23(31)33-3)19(32-2)8-9-25-21)13-28(14)22(30)17-12-15(24)5-7-18(17)29-26-10-11-27-29/h5,7-12,14,16H,4,6,13H2,1-3H3/t14-,16-/m1/s1
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n/an/a 1.46E+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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394197
PNG
(US9975876, 21 | methyl 2-({(3R,6R)-1-[(4-fluoro-2-...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccc(F)cc1-c1ncccn1
Show InChI InChI=1S/C25H25FN4O5/c1-15-5-7-17(35-23-21(25(32)34-3)20(33-2)9-12-29-23)14-30(15)24(31)18-8-6-16(26)13-19(18)22-27-10-4-11-28-22/h4,6,8-13,15,17H,5,7,14H2,1-3H3/t15-,17-/m1/s1
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n/an/a 1.47E+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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394187
PNG
(US9975876, 9 | methyl 2-{[3R,6R)-1-{[5-fluoro-2- (...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cc(F)ccc1-c1noc(C)n1
Show InChI InChI=1S/C24H25FN4O6/c1-13-5-7-16(34-22-20(24(31)33-4)19(32-3)9-10-26-22)12-29(13)23(30)18-11-15(25)6-8-17(18)21-27-14(2)35-28-21/h6,8-11,13,16H,5,7,12H2,1-4H3/t13-,16-/m1/s1
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n/an/a 1.50E+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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394180
PNG
(US9975876, 19 | US9975876, 2)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cccc(F)c1-n1nccn1
Show InChI InChI=1S/C23H24FN5O5/c1-14-7-8-15(34-21-19(23(31)33-3)18(32-2)9-10-25-21)13-28(14)22(30)16-5-4-6-17(24)20(16)29-26-11-12-27-29/h4-6,9-12,14-15H,7-8,13H2,1-3H3/t14-,15-/m1/s1
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n/an/a 1.87E+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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394199
PNG
(US9975876, 23)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1ncnn1
Show InChI InChI=1S/C22H24N6O5/c1-14-8-9-15(33-20-19(22(30)32-3)18(31-2)10-11-23-20)12-27(14)21(29)16-6-4-5-7-17(16)28-25-13-24-26-28/h4-7,10-11,13-15H,8-9,12H2,1-3H3/t14-,15-/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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394189
PNG
(US9975876, 11 | methyl 2-{[(3R,6R)-1-{[3-fluoro-2-...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cccc(F)c1-c1noc(C)n1
Show InChI InChI=1S/C24H25FN4O6/c1-13-8-9-15(34-22-20(24(31)33-4)18(32-3)10-11-26-22)12-29(13)23(30)16-6-5-7-17(25)19(16)21-27-14(2)35-28-21/h5-7,10-11,13,15H,8-9,12H2,1-4H3/t13-,15-/m1/s1
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n/an/a 2.27E+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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394184
PNG
(US9975876, 6 | methyl 2-{[(3R,6R)-1-{[2-fluoro-6- ...)
Show SMILES COC(=O)c1c(O)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H23N5O5/c1-14-7-8-15(32-20-19(22(30)31-2)18(28)9-10-23-20)13-26(14)21(29)16-5-3-4-6-17(16)27-24-11-12-25-27/h3-6,9-12,14-15H,7-8,13H2,1-2H3,(H,23,28)/t14-,15-/m1/s1
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n/an/a 2.31E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394201
PNG
(US9975876, 26 | ethyl 2-{[3R,6R)-1-{[3-fluoro-2-(2...)
Show SMILES CCOC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cccc(F)c1-n1nccn1
Show InChI InChI=1S/C24H26FN5O5/c1-4-34-24(32)20-19(33-3)10-11-26-22(20)35-16-9-8-15(2)29(14-16)23(31)17-6-5-7-18(25)21(17)30-27-12-13-28-30/h5-7,10-13,15-16H,4,8-9,14H2,1-3H3/t15-,16-/m1/s1
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n/an/a 2.79E+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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394180
PNG
(US9975876, 19 | US9975876, 2)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cccc(F)c1-n1nccn1
Show InChI InChI=1S/C23H24FN5O5/c1-14-7-8-15(34-21-19(23(31)33-3)18(32-2)9-10-25-21)13-28(14)22(30)16-5-4-6-17(24)20(16)29-26-11-12-27-29/h4-6,9-12,14-15H,7-8,13H2,1-3H3/t14-,15-/m1/s1
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n/an/a 2.90E+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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394183
PNG
(US9975876, 5 | methyl 2-{[(3R,6R)-1-{[4-fluoro-2- ...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccc(F)cc1-c1nc(C)no1
Show InChI InChI=1S/C24H25FN4O6/c1-13-5-7-16(34-22-20(24(31)33-4)19(32-3)9-10-26-22)12-29(13)23(30)17-8-6-15(25)11-18(17)21-27-14(2)28-35-21/h6,8-11,13,16H,5,7,12H2,1-4H3/t13-,16-/m1/s1
PDB

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n/an/a 3.10E+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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394182
PNG
(US9975876, 4 | methyl 2-{[(3R,6R)-1-{[4-fluoro-2- ...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccc(F)cc1-n1nccn1
Show InChI InChI=1S/C23H24FN5O5/c1-14-4-6-16(34-21-20(23(31)33-3)19(32-2)8-9-25-21)13-28(14)22(30)17-7-5-15(24)12-18(17)29-26-10-11-27-29/h5,7-12,14,16H,4,6,13H2,1-3H3/t14-,16-/m1/s1
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n/an/a 3.20E+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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394198
PNG
(US9975876, 22 | methyl 2-({(3R,6R)-1-[(3-fluoro-2-...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cccc(F)c1-c1ncccn1
Show InChI InChI=1S/C25H25FN4O5/c1-15-8-9-16(35-23-21(25(32)34-3)19(33-2)10-13-29-23)14-30(15)24(31)17-6-4-7-18(26)20(17)22-27-11-5-12-28-22/h4-7,10-13,15-16H,8-9,14H2,1-3H3/t15-,16-/m1/s1
PDB

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n/an/a 3.78E+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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394203
PNG
(US9975876, 28)
Show SMILES CCOC(=O)c1c(OCC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1ncnn1
Show InChI InChI=1S/C24H28N6O5/c1-4-33-20-12-13-25-22(21(20)24(32)34-5-2)35-17-11-10-16(3)29(14-17)23(31)18-8-6-7-9-19(18)30-27-15-26-28-30/h6-9,12-13,15-17H,4-5,10-11,14H2,1-3H3/t16-,17-/m1/s1
PDB

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n/an/a 4.13E+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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394190
PNG
(US9975876, 12 | methyl 2-{[(3R,6R)-1-{[2-fluoro-6-...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1c(F)cccc1-c1nc(C)no1
Show InChI InChI=1S/C24H25FN4O6/c1-13-8-9-15(34-22-20(24(31)33-4)18(32-3)10-11-26-22)12-29(13)23(30)19-16(6-5-7-17(19)25)21-27-14(2)28-35-21/h5-7,10-11,13,15H,8-9,12H2,1-4H3/t13-,15-/m1/s1
PDB

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n/an/a 4.47E+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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394202
PNG
(US9975876, 27)
Show SMILES CCOc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1C(=O)OC
Show InChI InChI=1S/C24H27N5O5/c1-4-33-20-11-12-25-22(21(20)24(31)32-3)34-17-10-9-16(2)28(15-17)23(30)18-7-5-6-8-19(18)29-26-13-14-27-29/h5-8,11-14,16-17H,4,9-10,15H2,1-3H3/t16-,17-/m1/s1
PDB

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n/an/a 7.00E+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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394205
PNG
(US9975876, 30)
Show SMILES CCOc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2ncnn2)c1C(=O)OC
Show InChI InChI=1S/C23H26N6O5/c1-4-33-19-11-12-24-21(20(19)23(31)32-3)34-16-10-9-15(2)28(13-16)22(30)17-7-5-6-8-18(17)29-26-14-25-27-29/h5-8,11-12,14-16H,4,9-10,13H2,1-3H3/t15-,16-/m1/s1
PDB

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n/an/a 7.95E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394206
PNG
(US9975876, 31)
Show SMILES COC(=O)c1c(OC)cccc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C24H26N4O5/c1-16-11-12-17(33-21-10-6-9-20(31-2)22(21)24(30)32-3)15-27(16)23(29)18-7-4-5-8-19(18)28-25-13-14-26-28/h4-10,13-14,16-17H,11-12,15H2,1-3H3/t16-,17-/m1/s1
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394207
PNG
(US9975876, 32 | methyl 2-methoxy-6-{[(3R,6R)-6- me...)
Show SMILES COC(=O)c1c(OC)cccc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccsc1-n1nccn1
Show InChI InChI=1S/C22H24N4O5S/c1-14-7-8-15(31-18-6-4-5-17(29-2)19(18)22(28)30-3)13-25(14)20(27)16-9-12-32-21(16)26-23-10-11-24-26/h4-6,9-12,14-15H,7-8,13H2,1-3H3/t14-,15-/m1/s1
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394209
PNG
(US9975876, 34 | methyl 2-methoxy-6-({(3R,6R)-6- me...)
Show SMILES COC(=O)c1c(OC)cccc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccsc1-c1ncccn1
Show InChI InChI=1S/C24H25N3O5S/c1-15-8-9-16(32-19-7-4-6-18(30-2)20(19)24(29)31-3)14-27(15)23(28)17-10-13-33-21(17)22-25-11-5-12-26-22/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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394204
PNG
(US9975876, 29)
Show SMILES CCOC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1ncnn1
Show InChI InChI=1S/C23H26N6O5/c1-4-33-23(31)20-19(32-3)11-12-24-21(20)34-16-10-9-15(2)28(13-16)22(30)17-7-5-6-8-18(17)29-26-14-25-27-29/h5-8,11-12,14-16H,4,9-10,13H2,1-3H3/t15-,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394193
PNG
(US9975876, 15 | methyl 4-methoxy-2-{[(3R,6R)-1-{[4...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccc(OC)cc1-n1nccn1
Show InChI InChI=1S/C24H27N5O6/c1-15-5-6-17(35-22-21(24(31)34-4)20(33-3)9-10-25-22)14-28(15)23(30)18-8-7-16(32-2)13-19(18)29-26-11-12-27-29/h7-13,15,17H,5-6,14H2,1-4H3/t15-,17-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394194
PNG
(US9975876, 17 | methyl 4-methoxy-2-{[(3R,6R)-1-{[6...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccc(OC)nc1-n1nccn1
Show InChI InChI=1S/C23H26N6O6/c1-14-5-6-15(35-21-19(23(31)34-4)17(32-2)9-10-24-21)13-28(14)22(30)16-7-8-18(33-3)27-20(16)29-25-11-12-26-29/h7-12,14-15H,5-6,13H2,1-4H3/t14-,15-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394210
PNG
(US9975876, 35 | methyl 2-methoxy-6-({(3R,6R)-6- me...)
Show SMILES COC(=O)c1c(OC)cccc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-c1ncccn1
Show InChI InChI=1S/C26H27N3O5/c1-17-12-13-18(34-22-11-6-10-21(32-2)23(22)26(31)33-3)16-29(17)25(30)20-9-5-4-8-19(20)24-27-14-7-15-28-24/h4-11,14-15,17-18H,12-13,16H2,1-3H3/t17-,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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394188
PNG
(US9975876, 10 | methyl 2-{[(3R,6R)-1-{[4-fluoro-2-...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccc(F)cc1-c1noc(C)n1
Show InChI InChI=1S/C24H25FN4O6/c1-13-5-7-16(34-22-20(24(31)33-4)19(32-3)9-10-26-22)12-29(13)23(30)17-8-6-15(25)11-18(17)21-27-14(2)35-28-21/h6,8-11,13,16H,5,7,12H2,1-4H3/t13-,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 US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394208
PNG
(US9975876, 33 | methyl 2-methoxy-6-{[(3R,6R)-6- me...)
Show SMILES COC(=O)c1c(OC)cccc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1ncnn1
Show InChI InChI=1S/C23H25N5O5/c1-15-11-12-16(33-20-10-6-9-19(31-2)21(20)23(30)32-3)13-27(15)22(29)17-7-4-5-8-18(17)28-25-14-24-26-28/h4-10,14-16H,11-13H2,1-3H3/t15-,16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM394186
PNG
(US9975876, 8 | methyl 2-{[(3R,6R)-1-{[2-fluoro-6- ...)
Show SMILES COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1c(F)cccc1-c1noc(C)n1
Show InChI InChI=1S/C24H25FN4O6/c1-13-8-9-15(34-22-20(24(31)33-4)18(32-3)10-11-26-22)12-29(13)23(30)19-16(6-5-7-17(19)25)21-27-14(2)35-28-21/h5-7,10-11,13,15H,8-9,12H2,1-4H3/t13-,15-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9975876 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WTZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%