BindingDB logo
myBDB logout

Patent code US9745284

Compile Data Set for Download or QSAR
Found 120 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Orexin receptor type 2


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 12.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14.7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 14.7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15.2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 19n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 21n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
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 US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
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 US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 22.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
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 US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 24n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 24.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
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 US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 26n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 26n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
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 US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 29n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
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 US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 34n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 34.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 35.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 36n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 37.2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 37.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 38n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 38.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 38.7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 41.2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
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 US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
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 US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 56n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 56n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 56.2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 59.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 62n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 63n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 67n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 71n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 71n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
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 US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 94.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 110n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
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 US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 134n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 136n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 194n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 490n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 568n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 576n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 581n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 617n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 669n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 746n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 843n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 859n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 899n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 938n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 976n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.02E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.11E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.15E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
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 US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.26E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.35E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
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 US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.48E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.61E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.64E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.69E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.76E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.76E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.85E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.98E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.01E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.02E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.08E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
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 US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.15E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.18E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.48E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.49E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.72E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.94E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.97E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.27E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.52E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.36E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.21E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.61E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.75E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.07E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.19E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.38E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.27E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
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 US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
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 US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
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 US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
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 US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
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 US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
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 US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
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 US9745284 (2017)

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
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 US9745284 (2017)

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