BindingDB logo
myBDB logout

Patent code US9987255

Compile Data Set for Download or QSAR
Found 48 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))
BDBM397110
PNG
(2-{2-[5-{[2-(2,2- difluorocyclopropyl)phenyl] carb...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1C1CC1(F)F
Show InChI InChI=1S/C23H27F2N3O3/c1-13-19(22(2,3)30)26-21(31-13)28-11-14-9-27(10-15(14)12-28)20(29)17-7-5-4-6-16(17)18-8-23(18,24)25/h4-7,14-15,18,30H,8-12H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 22n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397098
PNG
(2-(2-{5-[(2- cyclobutylphenyl)carbonyl] hexahydrop...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1C1CCC1
Show InChI InChI=1S/C24H31N3O3/c1-15-21(24(2,3)29)25-23(30-15)27-13-17-11-26(12-18(17)14-27)22(28)20-10-5-4-9-19(20)16-7-6-8-16/h4-5,9-10,16-18,29H,6-8,11-14H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 23n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397085
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)(5-(4-(2-hydroxyp...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H26N6O3/c1-14-19(22(2,3)30)25-21(31-14)27-12-15-10-26(11-16(15)13-27)20(29)17-6-4-5-7-18(17)28-23-8-9-24-28/h4-9,15-16,30H,10-13H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 27n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397102
PNG
(2-{2-[5-{[4-fluoro-2-(2H-1,2,3- triazol-2-yl) phen...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccc(F)cc1-n1nccn1
Show InChI InChI=1S/C22H25FN6O3/c1-13-19(22(2,3)31)26-21(32-13)28-11-14-9-27(10-15(14)12-28)20(30)17-5-4-16(23)8-18(17)29-24-6-7-25-29/h4-8,14-15,31H,9-12H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 32n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397092
PNG
(2-(5-methyl-2-{5-[(2- propylphenyl)carbonyl] hexah...)
Show SMILES CCCc1ccccc1C(=O)N1CC2CN(CC2C1)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C23H31N3O3/c1-5-8-16-9-6-7-10-19(16)21(27)25-11-17-13-26(14-18(17)12-25)22-24-20(15(2)29-22)23(3,4)28/h6-7,9-10,17-18,28H,5,8,11-14H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 32n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397104
PNG
(2-{5-methyl-2-[5-{[2-(1H- pyrazol-1-yl)pyridin-3-y...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1cccnc1-n1cccn1
Show InChI InChI=1S/C22H26N6O3/c1-14-18(22(2,3)30)25-21(31-14)27-12-15-10-26(11-16(15)13-27)20(29)17-6-4-7-23-19(17)28-9-5-8-24-28/h4-9,15-16,30H,10-13H2,1-3H3
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 US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397096
PNG
(2-{5-methyl-2-[5-{[2-(2,2,2- trifluoroethoxy)pyrid...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1cccnc1CC(F)(F)F
Show InChI InChI=1S/C21H25F3N4O3/c1-12-17(20(2,3)30)26-19(31-12)28-10-13-8-27(9-14(13)11-28)18(29)15-5-4-6-25-16(15)7-21(22,23)24/h4-6,13-14,30H,7-11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 46n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397099
PNG
(2-(5-methyl-2-{5-[(2-pyrrolidin-1- ylphenyl)carbon...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1N1CCCC1
Show InChI InChI=1S/C24H32N4O3/c1-16-21(24(2,3)30)25-23(31-16)28-14-17-12-27(13-18(17)15-28)22(29)19-8-4-5-9-20(19)26-10-6-7-11-26/h4-5,8-9,17-18,30H,6-7,10-15H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 49n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397105
PNG
(2-(5-methyl-2-{5-[(2- phenylpyridin-3-yl) carbonyl...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1cccnc1-c1ccccc1
Show InChI InChI=1S/C25H28N4O3/c1-16-22(25(2,3)31)27-24(32-16)29-14-18-12-28(13-19(18)15-29)23(30)20-10-7-11-26-21(20)17-8-5-4-6-9-17/h4-11,18-19,31H,12-15H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 60n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397101
PNG
(2-{5-methyl-2-[5-{[2-(2H- tetrazol-2-yl) phenyl]ca...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1-n1ncnn1
Show InChI InChI=1S/C21H25N7O3/c1-13-18(21(2,3)30)24-20(31-13)27-10-14-8-26(9-15(14)11-27)19(29)16-6-4-5-7-17(16)28-23-12-22-25-28/h4-7,12,14-15,30H,8-11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 65n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397100
PNG
(2-{5-methyl-2-[5-{(2-(1H- pyrazol-1- yl)phenyl]car...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1-n1cccn1
Show InChI InChI=1S/C23H27N5O3/c1-15-20(23(2,3)30)25-22(31-15)27-13-16-11-26(12-17(16)14-27)21(29)18-7-4-5-8-19(18)28-10-6-9-24-28/h4-10,16-17,30H,11-14H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 72n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397103
PNG
(2-{5-methyl-2-[5-{(3-(2H-1,2,3- triazol-2-yl)pyrid...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ncccc1-n1nccn1
Show InChI InChI=1S/C21H25N7O3/c1-13-18(21(2,3)30)25-20(31-13)27-11-14-9-26(10-15(14)12-27)19(29)17-16(5-4-6-22-17)28-23-7-8-24-28/h4-8,14-15,30H,9-12H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 84n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397097
PNG
(2-(2-{5-[(2- cyclopropylphenyl)carbonyl] hexahydro...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1C1CC1
Show InChI InChI=1S/C23H29N3O3/c1-14-20(23(2,3)28)24-22(29-14)26-12-16-10-25(11-17(16)13-26)21(27)19-7-5-4-6-18(19)15-8-9-15/h4-7,15-17,28H,8-13H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 87n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397108
PNG
(2-{2-[5-{[2- (difluoromethoxy)phenyl]carbonyl} hex...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1OC(F)F
Show InChI InChI=1S/C21H25F2N3O4/c1-12-17(21(2,3)28)24-20(29-12)26-10-13-8-25(9-14(13)11-26)18(27)15-6-4-5-7-16(15)30-19(22)23/h4-7,13-14,19,28H,8-11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 101n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397089
PNG
(2-{5-methyl-2-[5-{[2-(2,2,2- trifluoroethoxy)pyrid...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1cccnc1OCC(F)(F)F
Show InChI InChI=1S/C21H25F3N4O4/c1-12-16(20(2,3)30)26-19(32-12)28-9-13-7-27(8-14(13)10-28)18(29)15-5-4-6-25-17(15)31-11-21(22,23)24/h4-6,13-14,30H,7-11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 106n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397107
PNG
(2-{5-methyl-2-[5-{[3-(1H- pyrazol-1-yl)pyrazin-2-y...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1nccnc1-n1cccn1
Show InChI InChI=1S/C21H25N7O3/c1-13-17(21(2,3)30)25-20(31-13)27-11-14-9-26(10-15(14)12-27)19(29)16-18(23-7-6-22-16)28-8-4-5-24-28/h4-8,14-15,30H,9-12H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 112n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397094
PNG
(2-{5-methyl-2-[5-{[2-(1- methylethoxy)pyriddin-3- ...)
Show SMILES CC(C)Oc1ncccc1C(=O)N1CC2CN(CC2C1)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C22H30N4O4/c1-13(2)29-19-17(7-6-8-23-19)20(27)25-9-15-11-26(12-16(15)10-25)21-24-18(14(3)30-21)22(4,5)28/h6-8,13,15-16,28H,9-12H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 126n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397093
PNG
(2-{5-methyl-2-[5-{[2-(2,2,2- trifluoroethoxy)pheny...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C22H26F3N3O4/c1-13-18(21(2,3)30)26-20(32-13)28-10-14-8-27(9-15(14)11-28)19(29)16-6-4-5-7-17(16)31-12-22(23,24)25/h4-7,14-15,30H,8-12H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 165n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397109
PNG
(2-{5-methyl-2-[5-{(2-(2,2,2- trifluoroethyl)phenyl...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1CC(F)(F)F
Show InChI InChI=1S/C22H26F3N3O3/c1-13-18(21(2,3)30)26-20(31-13)28-11-15-9-27(10-16(15)12-28)19(29)17-7-5-4-6-14(17)8-22(23,24)25/h4-7,15-16,30H,8-12H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 230n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397106
PNG
(2-(5-methyl-2-{5-[(3-pyrrolidin-1- ylpyrazin-2-yl)...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1nccnc1N1CCCC1
Show InChI InChI=1S/C22H30N6O3/c1-14-18(22(2,3)30)25-21(31-14)28-12-15-10-27(11-16(15)13-28)20(29)17-19(24-7-6-23-17)26-8-4-5-9-26/h6-7,15-16,30H,4-5,8-13H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 252n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397095
PNG
(2-{2-[5-{[2-(2,2- difluoroethoxy)pyridin-3-yl] car...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1cccnc1OCC(F)F
Show InChI InChI=1S/C21H26F2N4O4/c1-12-17(21(2,3)29)25-20(31-12)27-9-13-7-26(8-14(13)10-27)19(28)15-5-4-6-24-18(15)30-11-16(22)23/h4-6,13-14,16,29H,7-11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 312n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397086
PNG
(2-(2-{5-[(2-Ethoxypyridin-3-yl)carbonyl]hexahydrop...)
Show SMILES CCOc1ncccc1C(=O)N1CC2CN(CC2C1)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C21H28N4O4/c1-5-28-18-16(7-6-8-22-18)19(26)24-9-14-11-25(12-15(14)10-24)20-23-17(13(2)29-20)21(3,4)27/h6-8,14-15,27H,5,9-12H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 545n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397091
PNG
(2-(5-methyl-2-{5-[(3- phenylpyridin-2-yl) carbonyl...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ncccc1-c1ccccc1
Show InChI InChI=1S/C25H28N4O3/c1-16-22(25(2,3)31)27-24(32-16)29-14-18-12-28(13-19(18)15-29)23(30)21-20(10-7-11-26-21)17-8-5-4-6-9-17/h4-11,18-19,31H,12-15H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 583n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM397090
PNG
(2-{5-methyl-2-[5-{[2- (trifluoromethoxy)phenyl] ca...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C21H24F3N3O4/c1-12-17(20(2,3)29)25-19(30-12)27-10-13-8-26(9-14(13)11-27)18(28)15-6-4-5-7-16(15)31-21(22,23)24/h4-7,13-14,29H,8-11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 604n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397102
PNG
(2-{2-[5-{[4-fluoro-2-(2H-1,2,3- triazol-2-yl) phen...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccc(F)cc1-n1nccn1
Show InChI InChI=1S/C22H25FN6O3/c1-13-19(22(2,3)31)26-21(32-13)28-11-14-9-27(10-15(14)12-28)20(30)17-5-4-16(23)8-18(17)29-24-6-7-25-29/h4-8,14-15,31H,9-12H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.07E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397098
PNG
(2-(2-{5-[(2- cyclobutylphenyl)carbonyl] hexahydrop...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1C1CCC1
Show InChI InChI=1S/C24H31N3O3/c1-15-21(24(2,3)29)25-23(30-15)27-13-17-11-26(12-18(17)14-27)22(28)20-10-5-4-9-19(20)16-7-6-8-16/h4-5,9-10,16-18,29H,6-8,11-14H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.30E+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 US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397085
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)(5-(4-(2-hydroxyp...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H26N6O3/c1-14-19(22(2,3)30)25-21(31-14)27-12-15-10-26(11-16(15)13-27)20(29)17-6-4-5-7-18(17)28-23-8-9-24-28/h4-9,15-16,30H,10-13H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.88E+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 US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397104
PNG
(2-{5-methyl-2-[5-{[2-(1H- pyrazol-1-yl)pyridin-3-y...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1cccnc1-n1cccn1
Show InChI InChI=1S/C22H26N6O3/c1-14-18(22(2,3)30)25-21(31-14)27-12-15-10-26(11-16(15)13-27)20(29)17-6-4-7-23-19(17)28-9-5-8-24-28/h4-9,15-16,30H,10-13H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 9.85E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397096
PNG
(2-{5-methyl-2-[5-{[2-(2,2,2- trifluoroethoxy)pyrid...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1cccnc1CC(F)(F)F
Show InChI InChI=1S/C21H25F3N4O3/c1-12-17(20(2,3)30)26-19(31-12)28-10-13-8-27(9-14(13)11-28)18(29)15-5-4-6-25-16(15)7-21(22,23)24/h4-6,13-14,30H,7-11H2,1-3H3
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 US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397095
PNG
(2-{2-[5-{[2-(2,2- difluoroethoxy)pyridin-3-yl] car...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1cccnc1OCC(F)F
Show InChI InChI=1S/C21H26F2N4O4/c1-12-17(21(2,3)29)25-20(31-12)27-9-13-7-26(8-14(13)10-27)19(28)15-5-4-6-24-18(15)30-11-16(22)23/h4-6,13-14,16,29H,7-11H2,1-3H3
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 US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397090
PNG
(2-{5-methyl-2-[5-{[2- (trifluoromethoxy)phenyl] ca...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C21H24F3N3O4/c1-12-17(20(2,3)29)25-19(30-12)27-10-13-8-26(9-14(13)11-27)18(28)15-6-4-5-7-16(15)31-21(22,23)24/h4-7,13-14,29H,8-11H2,1-3H3
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 US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397092
PNG
(2-(5-methyl-2-{5-[(2- propylphenyl)carbonyl] hexah...)
Show SMILES CCCc1ccccc1C(=O)N1CC2CN(CC2C1)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C23H31N3O3/c1-5-8-16-9-6-7-10-19(16)21(27)25-11-17-13-26(14-18(17)12-25)22-24-20(15(2)29-22)23(3,4)28/h6-7,9-10,17-18,28H,5,8,11-14H2,1-4H3
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 US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397094
PNG
(2-{5-methyl-2-[5-{[2-(1- methylethoxy)pyriddin-3- ...)
Show SMILES CC(C)Oc1ncccc1C(=O)N1CC2CN(CC2C1)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C22H30N4O4/c1-13(2)29-19-17(7-6-8-23-19)20(27)25-9-15-11-26(12-16(15)10-25)21-24-18(14(3)30-21)22(4,5)28/h6-8,13,15-16,28H,9-12H2,1-5H3
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 US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397110
PNG
(2-{2-[5-{[2-(2,2- difluorocyclopropyl)phenyl] carb...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1C1CC1(F)F
Show InChI InChI=1S/C23H27F2N3O3/c1-13-19(22(2,3)30)26-21(31-13)28-11-14-9-27(10-15(14)12-28)20(29)17-7-5-4-6-16(17)18-8-23(18,24)25/h4-7,14-15,18,30H,8-12H2,1-3H3
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 US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397105
PNG
(2-(5-methyl-2-{5-[(2- phenylpyridin-3-yl) carbonyl...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1cccnc1-c1ccccc1
Show InChI InChI=1S/C25H28N4O3/c1-16-22(25(2,3)31)27-24(32-16)29-14-18-12-28(13-19(18)15-29)23(30)20-10-7-11-26-21(20)17-8-5-4-6-9-17/h4-11,18-19,31H,12-15H2,1-3H3
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 US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397108
PNG
(2-{2-[5-{[2- (difluoromethoxy)phenyl]carbonyl} hex...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1OC(F)F
Show InChI InChI=1S/C21H25F2N3O4/c1-12-17(21(2,3)28)24-20(29-12)26-10-13-8-25(9-14(13)11-26)18(27)15-6-4-5-7-16(15)30-19(22)23/h4-7,13-14,19,28H,8-11H2,1-3H3
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 US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397089
PNG
(2-{5-methyl-2-[5-{[2-(2,2,2- trifluoroethoxy)pyrid...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1cccnc1OCC(F)(F)F
Show InChI InChI=1S/C21H25F3N4O4/c1-12-16(20(2,3)30)26-19(32-12)28-9-13-7-27(8-14(13)10-28)18(29)15-5-4-6-25-17(15)31-11-21(22,23)24/h4-6,13-14,30H,7-11H2,1-3H3
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 US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397106
PNG
(2-(5-methyl-2-{5-[(3-pyrrolidin-1- ylpyrazin-2-yl)...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1nccnc1N1CCCC1
Show InChI InChI=1S/C22H30N6O3/c1-14-18(22(2,3)30)25-21(31-14)28-12-15-10-27(11-16(15)13-28)20(29)17-19(24-7-6-23-17)26-8-4-5-9-26/h6-7,15-16,30H,4-5,8-13H2,1-3H3
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 US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397109
PNG
(2-{5-methyl-2-[5-{(2-(2,2,2- trifluoroethyl)phenyl...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1CC(F)(F)F
Show InChI InChI=1S/C22H26F3N3O3/c1-13-18(21(2,3)30)26-20(31-13)28-11-15-9-27(10-16(15)12-28)19(29)17-7-5-4-6-14(17)8-22(23,24)25/h4-7,15-16,30H,8-12H2,1-3H3
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 US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397107
PNG
(2-{5-methyl-2-[5-{[3-(1H- pyrazol-1-yl)pyrazin-2-y...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1nccnc1-n1cccn1
Show InChI InChI=1S/C21H25N7O3/c1-13-17(21(2,3)30)25-20(31-13)27-11-14-9-26(10-15(14)12-27)19(29)16-18(23-7-6-22-16)28-8-4-5-24-28/h4-8,14-15,30H,9-12H2,1-3H3
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 US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397097
PNG
(2-(2-{5-[(2- cyclopropylphenyl)carbonyl] hexahydro...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1C1CC1
Show InChI InChI=1S/C23H29N3O3/c1-14-20(23(2,3)28)24-22(29-14)26-12-16-10-25(11-17(16)13-26)21(27)19-7-5-4-6-18(19)15-8-9-15/h4-7,15-17,28H,8-13H2,1-3H3
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 US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397093
PNG
(2-{5-methyl-2-[5-{[2-(2,2,2- trifluoroethoxy)pheny...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C22H26F3N3O4/c1-13-18(21(2,3)30)26-20(32-13)28-10-14-8-27(9-15(14)11-28)19(29)16-6-4-5-7-17(16)31-12-22(23,24)25/h4-7,14-15,30H,8-12H2,1-3H3
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 US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397099
PNG
(2-(5-methyl-2-{5-[(2-pyrrolidin-1- ylphenyl)carbon...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1N1CCCC1
Show InChI InChI=1S/C24H32N4O3/c1-16-21(24(2,3)30)25-23(31-16)28-14-17-12-27(13-18(17)15-28)22(29)19-8-4-5-9-20(19)26-10-6-7-11-26/h4-5,8-9,17-18,30H,6-7,10-15H2,1-3H3
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 US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397103
PNG
(2-{5-methyl-2-[5-{(3-(2H-1,2,3- triazol-2-yl)pyrid...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ncccc1-n1nccn1
Show InChI InChI=1S/C21H25N7O3/c1-13-18(21(2,3)30)25-20(31-13)27-11-14-9-26(10-15(14)12-27)19(29)17-16(5-4-6-22-17)28-23-7-8-24-28/h4-8,14-15,30H,9-12H2,1-3H3
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 US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397091
PNG
(2-(5-methyl-2-{5-[(3- phenylpyridin-2-yl) carbonyl...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ncccc1-c1ccccc1
Show InChI InChI=1S/C25H28N4O3/c1-16-22(25(2,3)31)27-24(32-16)29-14-18-12-28(13-19(18)15-29)23(30)21-20(10-7-11-26-21)17-8-5-4-6-9-17/h4-11,18-19,31H,12-15H2,1-3H3
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 US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397100
PNG
(2-{5-methyl-2-[5-{(2-(1H- pyrazol-1- yl)phenyl]car...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1-n1cccn1
Show InChI InChI=1S/C23H27N5O3/c1-15-20(23(2,3)30)25-22(31-15)27-13-16-11-26(12-17(16)14-27)21(29)18-7-4-5-8-19(18)28-10-6-9-24-28/h4-10,16-17,30H,11-14H2,1-3H3
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 US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397086
PNG
(2-(2-{5-[(2-Ethoxypyridin-3-yl)carbonyl]hexahydrop...)
Show SMILES CCOc1ncccc1C(=O)N1CC2CN(CC2C1)c1nc(c(C)o1)C(C)(C)O
Show InChI InChI=1S/C21H28N4O4/c1-5-28-18-16(7-6-8-22-18)19(26)24-9-14-11-25(12-15(14)10-24)20-23-17(13(2)29-20)21(3,4)27/h6-8,14-15,27H,5,9-12H2,1-4H3
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 US9987255 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM397101
PNG
(2-{5-methyl-2-[5-{[2-(2H- tetrazol-2-yl) phenyl]ca...)
Show SMILES Cc1oc(nc1C(C)(C)O)N1CC2CN(CC2C1)C(=O)c1ccccc1-n1ncnn1
Show InChI InChI=1S/C21H25N7O3/c1-13-18(21(2,3)30)24-20(31-13)27-10-14-8-26(9-15(14)11-27)19(29)16-6-4-5-7-17(16)28-23-12-22-25-28/h4-7,12,14-15,30H,8-11H2,1-3H3
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 US9987255 (2018)

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