BindingDB logo
myBDB logout

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/IC50
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
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)

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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9975876 (2018)

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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9975876 (2018)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9975876 (2018)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9975876 (2018)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9975876 (2018)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9975876 (2018)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9975876 (2018)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9975876 (2018)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9975876 (2018)

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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9975876 (2018)

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