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Patent code US9624197

Compile Data Set for Download or QSAR
Found 30 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))
BDBM317564
PNG
(2-(((3R,6R)-1-(2-(2H-1,2,3-Triazol-2-yl)benzoyl)-6...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1nccc(C#N)c1C
Show InChI InChI=1S/C22H23N7O/c1-15-7-8-18(27-21-16(2)17(13-23)9-10-24-21)14-28(15)22(30)19-5-3-4-6-20(19)29-25-11-12-26-29/h3-6,9-12,15,18H,7-8,14H2,1-2H3,(H,24,27)/t15-,18-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317565
PNG
(3-methyl-2-{[(3R,6R)- 6-methyl-1-{[2-(2H- tetrazol...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1nccc(C#N)c1C
Show InChI InChI=1S/C22H23N7O/c1-15-7-8-18(27-21-16(2)17(13-23)9-10-24-21)14-28(15)22(30)19-5-3-4-6-20(19)29-25-11-12-26-29/h3-6,9-12,15,18H,7-8,14H2,1-2H3,(H,24,27)/t15-,18-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317562
PNG
(2-(((3R,6R)-1-(2-(2H-Tetrazol-2-yl)benzoyl)-6-meth...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)Nc1cc(ccn1)C#N
Show InChI InChI=1S/C20H20N8O/c1-14-6-7-16(25-19-10-15(11-21)8-9-22-19)12-27(14)20(29)17-4-2-3-5-18(17)28-24-13-23-26-28/h2-5,8-10,13-14,16H,6-7,12H2,1H3,(H,22,25)/t14-,16-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317561
PNG
(3-methoxy-2-{[(3R,6R)-6- methyl-1-{[2-(2H-1,2,3- t...)
Show SMILES COc1c(N[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C22H23N7O2/c1-15-7-8-17(27-21-20(31-2)16(13-23)9-10-24-21)14-28(15)22(30)18-5-3-4-6-19(18)29-25-11-12-26-29/h3-6,9-12,15,17H,7-8,14H2,1-2H3,(H,24,27)/t15-,17-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317566
PNG
(2-((3R,6R)-1-(2-(2H-1,2,3-Triazol-2-yl)thiophene-3...)
Show SMILES COc1c(N[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccsc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C20H21N7O2S/c1-13-3-4-15(25-18-17(29-2)14(11-21)5-7-22-18)12-26(13)19(28)16-6-10-30-20(16)27-23-8-9-24-27/h5-10,13,15H,3-4,12H2,1-2H3,(H,22,25)/t13-,15-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317574
PNG
(2-{[(3R,6R)-6-methyl-1- {[2-(2H-1,2,3-triazol-2- y...)
Show SMILES CCCN([C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1)c1cc(ccn1)C#N
Show InChI InChI=1S/C24H27N7O/c1-3-14-29(23-15-19(16-25)10-11-26-23)20-9-8-18(2)30(17-20)24(32)21-6-4-5-7-22(21)31-27-12-13-28-31/h4-7,10-13,15,18,20H,3,8-9,14,17H2,1-2H3/t18-,20-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317568
PNG
(2-(((3R,6R)-1-(2-(2H-1,2,3-Triazol-2-yl)benzoyl)-6...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)N(C)c1cc(ccn1)C#N
Show InChI InChI=1S/C22H23N7O/c1-16-7-8-18(27(2)21-13-17(14-23)9-10-24-21)15-28(16)22(30)19-5-3-4-6-20(19)29-25-11-12-26-29/h3-6,9-13,16,18H,7-8,15H2,1-2H3/t16-,18-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317572
PNG
(2-{ethyl[(3R,6R)-6- methyl-1-{[2-(2H-1,2,3- triazo...)
Show SMILES CCN([C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1)c1cc(ccn1)C#N
Show InChI InChI=1S/C23H25N7O/c1-3-28(22-14-18(15-24)10-11-25-22)19-9-8-17(2)29(16-19)23(31)20-6-4-5-7-21(20)30-26-12-13-27-30/h4-7,10-14,17,19H,3,8-9,16H2,1-2H3/t17-,19-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317573
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)c1ccccc1-n1nccn1)N(CC=C)c1cc(ccn1)C#N
Show InChI InChI=1S/C24H25N7O/c1-3-14-29(23-15-19(16-25)10-11-26-23)20-9-8-18(2)30(17-20)24(32)21-6-4-5-7-22(21)31-27-12-13-28-31/h3-7,10-13,15,18,20H,1,8-9,14,17H2,2H3/t18-,20-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317559
PNG
(2-(((3R,6R)-1-(2-(2H-1,2,3-Triazol-2-yl)benzoyl)-6...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1cc(ccn1)C#N
Show InChI InChI=1S/C21H21N7O/c1-15-6-7-17(26-20-12-16(13-22)8-9-23-20)14-27(15)21(29)18-4-2-3-5-19(18)28-24-10-11-25-28/h2-5,8-12,15,17H,6-7,14H2,1H3,(H,23,26)/t15-,17-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317569
PNG
(2-{methyl[(3R,6R)-6- methyl-1-{[2-(2H- tetrazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)N(C)c1cc(ccn1)C#N
Show InChI InChI=1S/C22H23N7O/c1-16-7-8-18(27(2)21-13-17(14-23)9-10-24-21)15-28(16)22(30)19-5-3-4-6-20(19)29-25-11-12-26-29/h3-6,9-13,16,18H,7-8,15H2,1-2H3/t16-,18-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317571
PNG
(3-methoxy-2- (methyl{(3R,6R)-6- methyl-1-[(2-pyrim...)
Show SMILES COc1c(ccnc1N(C)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccsc1-c1ncccn1)C#N
Show InChI InChI=1S/C23H24N6O2S/c1-15-5-6-17(28(2)22-19(31-3)16(13-24)7-11-27-22)14-29(15)23(30)18-8-12-32-20(18)21-25-9-4-10-26-21/h4,7-12,15,17H,5-6,14H2,1-3H3/t15-,17-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317570
PNG
(3-methoxy-2- {methyl[(3R,6R)-6- methyl-1-{[2-(2H-1...)
Show SMILES COc1c(ccnc1N(C)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccsc1-n1nccn1)C#N
Show InChI InChI=1S/C21H23N7O2S/c1-14-4-5-16(26(2)19-18(30-3)15(12-22)6-8-23-19)13-27(14)20(29)17-7-11-31-21(17)28-24-9-10-25-28/h6-11,14,16H,4-5,13H2,1-3H3/t14-,16-/m1/s1
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n/an/a 39n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317567
PNG
(3-methoxy-2-((3R,6R)-6- methyl-1-(2-(pyrimidin-2- ...)
Show SMILES COc1c(N[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccsc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C22H22N6O2S/c1-14-4-5-16(27-20-18(30-2)15(12-23)6-10-26-20)13-28(14)22(29)17-7-11-31-19(17)21-24-8-3-9-25-21/h3,6-11,14,16H,4-5,13H2,1-2H3,(H,26,27)/t14-,16-/m1/s1
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n/an/a 47n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317561
PNG
(3-methoxy-2-{[(3R,6R)-6- methyl-1-{[2-(2H-1,2,3- t...)
Show SMILES COc1c(N[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C22H23N7O2/c1-15-7-8-17(27-21-20(31-2)16(13-23)9-10-24-21)14-28(15)22(30)18-5-3-4-6-19(18)29-25-11-12-26-29/h3-6,9-12,15,17H,7-8,14H2,1-2H3,(H,24,27)/t15-,17-/m1/s1
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n/an/a 267n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317574
PNG
(2-{[(3R,6R)-6-methyl-1- {[2-(2H-1,2,3-triazol-2- y...)
Show SMILES CCCN([C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1)c1cc(ccn1)C#N
Show InChI InChI=1S/C24H27N7O/c1-3-14-29(23-15-19(16-25)10-11-26-23)20-9-8-18(2)30(17-20)24(32)21-6-4-5-7-22(21)31-27-12-13-28-31/h4-7,10-13,15,18,20H,3,8-9,14,17H2,1-2H3/t18-,20-/m1/s1
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n/an/a 330n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317567
PNG
(3-methoxy-2-((3R,6R)-6- methyl-1-(2-(pyrimidin-2- ...)
Show SMILES COc1c(N[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccsc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C22H22N6O2S/c1-14-4-5-16(27-20-18(30-2)15(12-23)6-10-26-20)13-28(14)22(29)17-7-11-31-19(17)21-24-8-3-9-25-21/h3,6-11,14,16H,4-5,13H2,1-2H3,(H,26,27)/t14-,16-/m1/s1
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n/an/a 384n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317564
PNG
(2-(((3R,6R)-1-(2-(2H-1,2,3-Triazol-2-yl)benzoyl)-6...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1nccc(C#N)c1C
Show InChI InChI=1S/C22H23N7O/c1-15-7-8-18(27-21-16(2)17(13-23)9-10-24-21)14-28(15)22(30)19-5-3-4-6-20(19)29-25-11-12-26-29/h3-6,9-12,15,18H,7-8,14H2,1-2H3,(H,24,27)/t15-,18-/m1/s1
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n/an/a 745n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317566
PNG
(2-((3R,6R)-1-(2-(2H-1,2,3-Triazol-2-yl)thiophene-3...)
Show SMILES COc1c(N[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccsc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C20H21N7O2S/c1-13-3-4-15(25-18-17(29-2)14(11-21)5-7-22-18)12-26(13)19(28)16-6-10-30-20(16)27-23-8-9-24-27/h5-10,13,15H,3-4,12H2,1-2H3,(H,22,25)/t13-,15-/m1/s1
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n/an/a 827n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317565
PNG
(3-methyl-2-{[(3R,6R)- 6-methyl-1-{[2-(2H- tetrazol...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1nccc(C#N)c1C
Show InChI InChI=1S/C22H23N7O/c1-15-7-8-18(27-21-16(2)17(13-23)9-10-24-21)14-28(15)22(30)19-5-3-4-6-20(19)29-25-11-12-26-29/h3-6,9-12,15,18H,7-8,14H2,1-2H3,(H,24,27)/t15-,18-/m1/s1
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n/an/a 1.15E+3n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317559
PNG
(2-(((3R,6R)-1-(2-(2H-1,2,3-Triazol-2-yl)benzoyl)-6...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Nc1cc(ccn1)C#N
Show InChI InChI=1S/C21H21N7O/c1-15-6-7-17(26-20-12-16(13-22)8-9-23-20)14-27(15)21(29)18-4-2-3-5-19(18)28-24-10-11-25-28/h2-5,8-12,15,17H,6-7,14H2,1H3,(H,23,26)/t15-,17-/m1/s1
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n/an/a 1.74E+3n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317575
PNG
(N-((3R,6R)-1-(2-(2H-1,2,3-Triazol-2-yl)benzoyl)-6-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)N(C(C)=O)c1cc(ccn1)C#N
Show InChI InChI=1S/C23H23N7O2/c1-16-7-8-19(29(17(2)31)22-13-18(14-24)9-10-25-22)15-28(16)23(32)20-5-3-4-6-21(20)30-26-11-12-27-30/h3-6,9-13,16,19H,7-8,15H2,1-2H3/t16-,19-/m1/s1
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n/an/a 1.78E+3n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317562
PNG
(2-(((3R,6R)-1-(2-(2H-Tetrazol-2-yl)benzoyl)-6-meth...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1ncnn1)Nc1cc(ccn1)C#N
Show InChI InChI=1S/C20H20N8O/c1-14-6-7-16(25-19-10-15(11-21)8-9-22-19)12-27(14)20(29)17-4-2-3-5-18(17)28-24-13-23-26-28/h2-5,8-10,13-14,16H,6-7,12H2,1H3,(H,22,25)/t14-,16-/m1/s1
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n/an/a 1.92E+3n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317572
PNG
(2-{ethyl[(3R,6R)-6- methyl-1-{[2-(2H-1,2,3- triazo...)
Show SMILES CCN([C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1)c1cc(ccn1)C#N
Show InChI InChI=1S/C23H25N7O/c1-3-28(22-14-18(15-24)10-11-25-22)19-9-8-17(2)29(16-19)23(31)20-6-4-5-7-21(20)30-26-12-13-27-30/h4-7,10-14,17,19H,3,8-9,16H2,1-2H3/t17-,19-/m1/s1
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n/an/a 1.99E+3n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317568
PNG
(2-(((3R,6R)-1-(2-(2H-1,2,3-Triazol-2-yl)benzoyl)-6...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)N(C)c1cc(ccn1)C#N
Show InChI InChI=1S/C22H23N7O/c1-16-7-8-18(27(2)21-13-17(14-23)9-10-24-21)15-28(16)22(30)19-5-3-4-6-20(19)29-25-11-12-26-29/h3-6,9-13,16,18H,7-8,15H2,1-2H3/t16-,18-/m1/s1
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n/an/a 2.05E+3n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317569
PNG
(2-{methyl[(3R,6R)-6- methyl-1-{[2-(2H- tetrazol-2-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)N(C)c1cc(ccn1)C#N
Show InChI InChI=1S/C22H23N7O/c1-16-7-8-18(27(2)21-13-17(14-23)9-10-24-21)15-28(16)22(30)19-5-3-4-6-20(19)29-25-11-12-26-29/h3-6,9-13,16,18H,7-8,15H2,1-2H3/t16-,18-/m1/s1
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n/an/a 2.24E+3n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317573
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)c1ccccc1-n1nccn1)N(CC=C)c1cc(ccn1)C#N
Show InChI InChI=1S/C24H25N7O/c1-3-14-29(23-15-19(16-25)10-11-26-23)20-9-8-18(2)30(17-20)24(32)21-6-4-5-7-22(21)31-27-12-13-28-31/h3-7,10-13,15,18,20H,1,8-9,14,17H2,2H3/t18-,20-/m1/s1
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n/an/a 2.55E+3n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317570
PNG
(3-methoxy-2- {methyl[(3R,6R)-6- methyl-1-{[2-(2H-1...)
Show SMILES COc1c(ccnc1N(C)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccsc1-n1nccn1)C#N
Show InChI InChI=1S/C21H23N7O2S/c1-14-4-5-16(26(2)19-18(30-3)15(12-22)6-8-23-19)13-27(14)20(29)17-7-11-31-21(17)28-24-9-10-25-28/h6-11,14,16H,4-5,13H2,1-3H3/t14-,16-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317575
PNG
(N-((3R,6R)-1-(2-(2H-1,2,3-Triazol-2-yl)benzoyl)-6-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)N(C(C)=O)c1cc(ccn1)C#N
Show InChI InChI=1S/C23H23N7O2/c1-16-7-8-19(29(17(2)31)22-13-18(14-24)9-10-25-22)15-28(16)23(32)20-5-3-4-6-21(20)30-26-11-12-27-30/h3-6,9-13,16,19H,7-8,15H2,1-2H3/t16-,19-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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


(Homo sapiens (Human))
BDBM317571
PNG
(3-methoxy-2- (methyl{(3R,6R)-6- methyl-1-[(2-pyrim...)
Show SMILES COc1c(ccnc1N(C)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccsc1-c1ncccn1)C#N
Show InChI InChI=1S/C23H24N6O2S/c1-15-5-6-17(28(2)22-19(31-3)16(13-24)7-11-27-22)14-29(15)23(30)18-8-12-32-20(18)21-25-9-4-10-26-21/h4,7-12,15,17H,5-6,14H2,1-3H3/t15-,17-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
FLIPR Ca2+ Flux Assay- (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001). In a typical experiment the OX1 and OX2 receptor antagonisti...


US Patent US9624197 (2017)

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