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Patent code US9586950

Compile Data Set for Download or QSAR
Found 104 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))
BDBM294352
PNG
(US9586950, 19 | methyl 4-cyano-2-{[(3R,6R)-6- meth...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(C)cccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C24H24N6O4/c1-15-5-4-6-19(30-27-11-12-28-30)20(15)23(31)29-14-18(8-7-16(29)2)34-22-21(24(32)33-3)17(13-25)9-10-26-22/h4-6,9-12,16,18H,7-8,14H2,1-3H3/t16-,18-/m1/s1
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US Patent
0.260n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294359
PNG
(Methyl 4-cyano-2-(((3R,6R)-1-(2-cyclobutylbenzoyl)...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2C2CCC2)nccc1C#N
Show InChI InChI=1S/C25H27N3O4/c1-16-10-11-19(32-23-22(25(30)31-2)18(14-26)12-13-27-23)15-28(16)24(29)21-9-4-3-8-20(21)17-6-5-7-17/h3-4,8-9,12-13,16-17,19H,5-7,10-11,15H2,1-2H3/t16-,19-/m1/s1
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0.260n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294339
PNG
(US9586950, 7 | methyl 4-cyano-2-{[(3R,6R)-1-{[2- f...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H21FN6O4/c1-14-6-7-16(34-21-19(23(32)33-2)15(12-25)8-9-26-21)13-29(14)22(31)20-17(24)4-3-5-18(20)30-27-10-11-28-30/h3-5,8-11,14,16H,6-7,13H2,1-2H3/t14-,16-/m1/s1
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0.330n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294333
PNG
(US9586950, 2)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2nc(C)no2)nccc1C#N
Show InChI InChI=1S/C24H23N5O5/c1-14-8-9-17(33-22-20(24(31)32-3)16(12-25)10-11-26-22)13-29(14)23(30)19-7-5-4-6-18(19)21-27-15(2)28-34-21/h4-7,10-11,14,17H,8-9,13H2,1-3H3/t14-,17-/m1/s1
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US Patent
0.370n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294338
PNG
(US9586950, 6 | methyl 4-cyano-2-{[(3R,6R)-1-{[5- f...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H21FN6O4/c1-14-3-5-17(34-21-20(23(32)33-2)15(12-25)7-8-26-21)13-29(14)22(31)18-11-16(24)4-6-19(18)30-27-9-10-28-30/h4,6-11,14,17H,3,5,13H2,1-2H3/t14-,17-/m1/s1
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0.420n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294357
PNG
(US9586950, 24 | methyl 4-cyano-2-({(3R,6R)-1-[(2- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H22FN5O4/c1-15-7-8-17(35-23-20(25(33)34-2)16(13-27)9-12-30-23)14-31(15)24(32)21-18(5-3-6-19(21)26)22-28-10-4-11-29-22/h3-6,9-12,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1
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0.420n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294340
PNG
(US9586950, 8 | methyl 4-cyano-2-{[(3R,6R)-1-{[5- f...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2nc(C)no2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-4-6-17(34-22-20(24(32)33-3)15(11-26)8-9-27-22)12-30(13)23(31)19-10-16(25)5-7-18(19)21-28-14(2)29-35-21/h5,7-10,13,17H,4,6,12H2,1-3H3/t13-,17-/m1/s1
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0.440n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294336
PNG
(US9586950, 4 | methyl 4-cyano-2-{[(3R,6R)-1-{[3- f...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(F)c2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H21FN6O4/c1-14-6-7-16(34-21-19(23(32)33-2)15(12-25)8-9-26-21)13-29(14)22(31)17-4-3-5-18(24)20(17)30-27-10-11-28-30/h3-5,8-11,14,16H,6-7,13H2,1-2H3/t14-,16-/m1/s1
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0.440n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294306
PNG
(US9586950, 1)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H22N6O4/c1-15-7-8-17(33-21-20(23(31)32-2)16(13-24)9-10-25-21)14-28(15)22(30)18-5-3-4-6-19(18)29-26-11-12-27-29/h3-6,9-12,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1
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0.460n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294356
PNG
(US9586950, 23 | methyl 4-cyano-2-({(3R,6R)-1-[(5- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H22FN5O4/c1-15-4-6-18(35-23-21(25(33)34-2)16(13-27)8-11-30-23)14-31(15)24(32)20-12-17(26)5-7-19(20)22-28-9-3-10-29-22/h3,5,7-12,15,18H,4,6,14H2,1-2H3/t15-,18-/m1/s1
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0.470n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294351
PNG
(US9586950, 18 | methyl 4-cyano-2-{[(3R,6R)-6- meth...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(C)ccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C24H24N6O4/c1-15-4-7-20(30-27-10-11-28-30)19(12-15)23(31)29-14-18(6-5-16(29)2)34-22-21(24(32)33-3)17(13-25)8-9-26-22/h4,7-12,16,18H,5-6,14H2,1-3H3/t16-,18-/m1/s1
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0.480n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294345
PNG
(US9586950, 13 | methyl 4-cyano-2-{[(3R,6R)-1-{[5- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2noc(C)n2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-4-6-17(34-22-20(24(32)33-3)15(11-26)8-9-27-22)12-30(13)23(31)19-10-16(25)5-7-18(19)21-28-14(2)35-29-21/h5,7-10,13,17H,4,6,12H2,1-3H3/t13-,17-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294343
PNG
(US9586950, 11 | methyl 4-cyano-2-{[(3R,6R)-1-{[3- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(F)c2-c2noc(C)n2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-7-8-16(34-22-19(24(32)33-3)15(11-26)9-10-27-22)12-30(13)23(31)17-5-4-6-18(25)20(17)21-28-14(2)35-29-21/h4-6,9-10,13,16H,7-8,12H2,1-3H3/t13-,16-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294348
PNG
(US9586950, 16 | methyl 4-cyano-2-{[(3R,6R)-6- meth...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(C)c2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C24H24N6O4/c1-15-5-4-6-19(21(15)30-27-11-12-28-30)23(31)29-14-18(8-7-16(29)2)34-22-20(24(32)33-3)17(13-25)9-10-26-22/h4-6,9-12,16,18H,7-8,14H2,1-3H3/t16-,18-/m1/s1
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0.520n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294342
PNG
(US9586950, 10 | methyl 4-cyano-2-{[(3R,6R)-6- meth...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2noc(C)n2)nccc1C#N
Show InChI InChI=1S/C24H23N5O5/c1-14-8-9-17(33-22-20(24(31)32-3)16(12-25)10-11-26-22)13-29(14)23(30)19-7-5-4-6-18(19)21-27-15(2)34-28-21/h4-7,10-11,14,17H,8-9,13H2,1-3H3/t14-,17-/m1/s1
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0.530n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294353
PNG
(Methyl 4-cyano-2-({(3R,6-methyl-1-[(2-pyrimidin-2-...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H23N5O4/c1-16-8-9-18(34-23-21(25(32)33-2)17(14-26)10-13-29-23)15-30(16)24(31)20-7-4-3-6-19(20)22-27-11-5-12-28-22/h3-7,10-13,16,18H,8-9,15H2,1-2H3/t16-,18-/m1/s1
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0.540n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294349
PNG
(US9586950, 17 | methyl 4-cyano-2-{[(3R,6R)-6- meth...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(C)cc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C24H24N6O4/c1-15-4-7-19(20(12-15)30-27-10-11-28-30)23(31)29-14-18(6-5-16(29)2)34-22-21(24(32)33-3)17(13-25)8-9-26-22/h4,7-12,16,18H,5-6,14H2,1-3H3/t16-,18-/m1/s1
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0.580n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294337
PNG
(US9586950, 5 | methyl 4-cyano-2-{[(3R,6R)-1-{[4- f...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H21FN6O4/c1-14-3-5-17(34-21-20(23(32)33-2)15(12-25)7-8-26-21)13-29(14)22(31)18-6-4-16(24)11-19(18)30-27-9-10-28-30/h4,6-11,14,17H,3,5,13H2,1-2H3/t14-,17-/m1/s1
PDB

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0.660n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294355
PNG
(US9586950, 22 | methyl 4-cyano-2-({(3R,6R)-1-[(4- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H22FN5O4/c1-15-4-6-18(35-23-21(25(33)34-2)16(13-27)8-11-30-23)14-31(15)24(32)19-7-5-17(26)12-20(19)22-28-9-3-10-29-22/h3,5,7-12,15,18H,4,6,14H2,1-2H3/t15-,18-/m1/s1
PDB

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US Patent
0.680n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294353
PNG
(Methyl 4-cyano-2-({(3R,6-methyl-1-[(2-pyrimidin-2-...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H23N5O4/c1-16-8-9-18(34-23-21(25(32)33-2)17(14-26)10-13-29-23)15-30(16)24(31)20-7-4-3-6-19(20)22-27-11-5-12-28-22/h3-7,10-13,16,18H,8-9,15H2,1-2H3/t16-,18-/m1/s1
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0.760n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294346
PNG
(US9586950, 14 | methyl 4-cyano-2-{[(3R,6R)-1-{[2- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-c2noc(C)n2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-7-8-16(34-22-19(24(32)33-3)15(11-26)9-10-27-22)12-30(13)23(31)20-17(5-4-6-18(20)25)21-28-14(2)35-29-21/h4-6,9-10,13,16H,7-8,12H2,1-3H3/t13-,16-/m1/s1
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0.990n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294341
PNG
(US9586950, 9 | methyl 4-cyano-2-{[(3R,6R)-1-{[2- f...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-c2nc(C)no2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-7-8-16(34-22-19(24(32)33-3)15(11-26)9-10-27-22)12-30(13)23(31)20-17(5-4-6-18(20)25)21-28-14(2)29-35-21/h4-6,9-10,13,16H,7-8,12H2,1-3H3/t13-,16-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294344
PNG
(US9586950, 12 | methyl 4-cyano-2-{[(3R,6R)-1-{[4- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-c2noc(C)n2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-4-6-17(34-22-20(24(32)33-3)15(11-26)8-9-27-22)12-30(13)23(31)18-7-5-16(25)10-19(18)21-28-14(2)35-29-21/h5,7-10,13,17H,4,6,12H2,1-3H3/t13-,17-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294354
PNG
(US9586950, 21 | methyl 4-cyano-2-({(3R,6R)-1-[(3- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(F)c2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H22FN5O4/c1-15-7-8-17(35-23-20(25(33)34-2)16(13-27)9-12-30-23)14-31(15)24(32)18-5-3-6-19(26)21(18)22-28-10-4-11-29-22/h3-6,9-12,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294334
PNG
(US9586950, 3 | methyl 4-cyano-2-{[(3R,6R)-1-{[6- m...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(OC)nc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H23N7O5/c1-14-4-5-16(35-21-19(23(32)34-3)15(12-24)8-9-25-21)13-29(14)22(31)17-6-7-18(33-2)28-20(17)30-26-10-11-27-30/h6-11,14,16H,4-5,13H2,1-3H3/t14-,16-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294347
PNG
(US9586950, 15 | methyl 4-cyano-2-{[(3R,6R)-1-{[4- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-c2nc(C)no2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-4-6-17(34-22-20(24(32)33-3)15(11-26)8-9-27-22)12-30(13)23(31)18-7-5-16(25)10-19(18)21-28-14(2)29-35-21/h5,7-10,13,17H,4,6,12H2,1-3H3/t13-,17-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294351
PNG
(US9586950, 18 | methyl 4-cyano-2-{[(3R,6R)-6- meth...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(C)ccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C24H24N6O4/c1-15-4-7-20(30-27-10-11-28-30)19(12-15)23(31)29-14-18(6-5-16(29)2)34-22-21(24(32)33-3)17(13-25)8-9-26-22/h4,7-12,16,18H,5-6,14H2,1-3H3/t16-,18-/m1/s1
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25.8n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294353
PNG
(Methyl 4-cyano-2-({(3R,6-methyl-1-[(2-pyrimidin-2-...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H23N5O4/c1-16-8-9-18(34-23-21(25(32)33-2)17(14-26)10-13-29-23)15-30(16)24(31)20-7-4-3-6-19(20)22-27-11-5-12-28-22/h3-7,10-13,16,18H,8-9,15H2,1-2H3/t16-,18-/m1/s1
PDB

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30.8n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294352
PNG
(US9586950, 19 | methyl 4-cyano-2-{[(3R,6R)-6- meth...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(C)cccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C24H24N6O4/c1-15-5-4-6-19(30-27-11-12-28-30)20(15)23(31)29-14-18(8-7-16(29)2)34-22-21(24(32)33-3)17(13-25)9-10-26-22/h4-6,9-12,16,18H,7-8,14H2,1-3H3/t16-,18-/m1/s1
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37.1n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294356
PNG
(US9586950, 23 | methyl 4-cyano-2-({(3R,6R)-1-[(5- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H22FN5O4/c1-15-4-6-18(35-23-21(25(33)34-2)16(13-27)8-11-30-23)14-31(15)24(32)20-12-17(26)5-7-19(20)22-28-9-3-10-29-22/h3,5,7-12,15,18H,4,6,14H2,1-2H3/t15-,18-/m1/s1
PDB

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46n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294357
PNG
(US9586950, 24 | methyl 4-cyano-2-({(3R,6R)-1-[(2- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H22FN5O4/c1-15-7-8-17(35-23-20(25(33)34-2)16(13-27)9-12-30-23)14-31(15)24(32)21-18(5-3-6-19(21)26)22-28-10-4-11-29-22/h3-6,9-12,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1
PDB

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48n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294306
PNG
(US9586950, 1)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H22N6O4/c1-15-7-8-17(33-21-20(23(31)32-2)16(13-24)9-10-25-21)14-28(15)22(30)18-5-3-4-6-19(18)29-26-11-12-27-29/h3-6,9-12,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1
PDB

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56n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294348
PNG
(US9586950, 16 | methyl 4-cyano-2-{[(3R,6R)-6- meth...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(C)c2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C24H24N6O4/c1-15-5-4-6-19(21(15)30-27-11-12-28-30)23(31)29-14-18(8-7-16(29)2)34-22-20(24(32)33-3)17(13-25)9-10-26-22/h4-6,9-12,16,18H,7-8,14H2,1-3H3/t16-,18-/m1/s1
PDB

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57.8n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294339
PNG
(US9586950, 7 | methyl 4-cyano-2-{[(3R,6R)-1-{[2- f...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H21FN6O4/c1-14-6-7-16(34-21-19(23(32)33-2)15(12-25)8-9-26-21)13-29(14)22(31)20-17(24)4-3-5-18(20)30-27-10-11-28-30/h3-5,8-11,14,16H,6-7,13H2,1-2H3/t14-,16-/m1/s1
PDB

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63n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294333
PNG
(US9586950, 2)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2nc(C)no2)nccc1C#N
Show InChI InChI=1S/C24H23N5O5/c1-14-8-9-17(33-22-20(24(31)32-3)16(12-25)10-11-26-22)13-29(14)23(30)19-7-5-4-6-18(19)21-27-15(2)28-34-21/h4-7,10-11,14,17H,8-9,13H2,1-3H3/t14-,17-/m1/s1
PDB

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73.8n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294355
PNG
(US9586950, 22 | methyl 4-cyano-2-({(3R,6R)-1-[(4- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H22FN5O4/c1-15-4-6-18(35-23-21(25(33)34-2)16(13-27)8-11-30-23)14-31(15)24(32)19-7-5-17(26)12-20(19)22-28-9-3-10-29-22/h3,5,7-12,15,18H,4,6,14H2,1-2H3/t15-,18-/m1/s1
PDB

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75.6n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294342
PNG
(US9586950, 10 | methyl 4-cyano-2-{[(3R,6R)-6- meth...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2noc(C)n2)nccc1C#N
Show InChI InChI=1S/C24H23N5O5/c1-14-8-9-17(33-22-20(24(31)32-3)16(12-25)10-11-26-22)13-29(14)23(30)19-7-5-4-6-18(19)21-27-15(2)34-28-21/h4-7,10-11,14,17H,8-9,13H2,1-3H3/t14-,17-/m1/s1
PDB

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86.6n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294345
PNG
(US9586950, 13 | methyl 4-cyano-2-{[(3R,6R)-1-{[5- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2noc(C)n2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-4-6-17(34-22-20(24(32)33-3)15(11-26)8-9-27-22)12-30(13)23(31)19-10-16(25)5-7-18(19)21-28-14(2)35-29-21/h5,7-10,13,17H,4,6,12H2,1-3H3/t13-,17-/m1/s1
PDB

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117n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294343
PNG
(US9586950, 11 | methyl 4-cyano-2-{[(3R,6R)-1-{[3- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(F)c2-c2noc(C)n2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-7-8-16(34-22-19(24(32)33-3)15(11-26)9-10-27-22)12-30(13)23(31)17-5-4-6-18(25)20(17)21-28-14(2)35-29-21/h4-6,9-10,13,16H,7-8,12H2,1-3H3/t13-,16-/m1/s1
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128n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294338
PNG
(US9586950, 6 | methyl 4-cyano-2-{[(3R,6R)-1-{[5- f...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H21FN6O4/c1-14-3-5-17(34-21-20(23(32)33-2)15(12-25)7-8-26-21)13-29(14)22(31)18-11-16(24)4-6-19(18)30-27-9-10-28-30/h4,6-11,14,17H,3,5,13H2,1-2H3/t14-,17-/m1/s1
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144n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294340
PNG
(US9586950, 8 | methyl 4-cyano-2-{[(3R,6R)-1-{[5- f...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2nc(C)no2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-4-6-17(34-22-20(24(32)33-3)15(11-26)8-9-27-22)12-30(13)23(31)19-10-16(25)5-7-18(19)21-28-14(2)29-35-21/h5,7-10,13,17H,4,6,12H2,1-3H3/t13-,17-/m1/s1
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153n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294341
PNG
(US9586950, 9 | methyl 4-cyano-2-{[(3R,6R)-1-{[2- f...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-c2nc(C)no2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-7-8-16(34-22-19(24(32)33-3)15(11-26)9-10-27-22)12-30(13)23(31)20-17(5-4-6-18(20)25)21-28-14(2)29-35-21/h4-6,9-10,13,16H,7-8,12H2,1-3H3/t13-,16-/m1/s1
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170n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294354
PNG
(US9586950, 21 | methyl 4-cyano-2-({(3R,6R)-1-[(3- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(F)c2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H22FN5O4/c1-15-7-8-17(35-23-20(25(33)34-2)16(13-27)9-12-30-23)14-31(15)24(32)18-5-3-6-19(26)21(18)22-28-10-4-11-29-22/h3-6,9-12,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1
PDB

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174n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294337
PNG
(US9586950, 5 | methyl 4-cyano-2-{[(3R,6R)-1-{[4- f...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H21FN6O4/c1-14-3-5-17(34-21-20(23(32)33-2)15(12-25)7-8-26-21)13-29(14)22(31)18-6-4-16(24)11-19(18)30-27-9-10-28-30/h4,6-11,14,17H,3,5,13H2,1-2H3/t14-,17-/m1/s1
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175n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294349
PNG
(US9586950, 17 | methyl 4-cyano-2-{[(3R,6R)-6- meth...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(C)cc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C24H24N6O4/c1-15-4-7-19(20(12-15)30-27-10-11-28-30)23(31)29-14-18(6-5-16(29)2)34-22-21(24(32)33-3)17(13-25)8-9-26-22/h4,7-12,16,18H,5-6,14H2,1-3H3/t16-,18-/m1/s1
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178n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294346
PNG
(US9586950, 14 | methyl 4-cyano-2-{[(3R,6R)-1-{[2- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-c2noc(C)n2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-7-8-16(34-22-19(24(32)33-3)15(11-26)9-10-27-22)12-30(13)23(31)20-17(5-4-6-18(20)25)21-28-14(2)35-29-21/h4-6,9-10,13,16H,7-8,12H2,1-3H3/t13-,16-/m1/s1
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188n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294336
PNG
(US9586950, 4 | methyl 4-cyano-2-{[(3R,6R)-1-{[3- f...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(F)c2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H21FN6O4/c1-14-6-7-16(34-21-19(23(32)33-2)15(12-25)8-9-26-21)13-29(14)22(31)17-4-3-5-18(24)20(17)30-27-10-11-28-30/h3-5,8-11,14,16H,6-7,13H2,1-2H3/t14-,16-/m1/s1
PDB

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210n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294359
PNG
(Methyl 4-cyano-2-(((3R,6R)-1-(2-cyclobutylbenzoyl)...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2C2CCC2)nccc1C#N
Show InChI InChI=1S/C25H27N3O4/c1-16-10-11-19(32-23-22(25(30)31-2)18(14-26)12-13-27-23)15-28(16)24(29)21-9-4-3-8-20(21)17-6-5-7-17/h3-4,8-9,12-13,16-17,19H,5-7,10-11,15H2,1-2H3/t16-,19-/m1/s1
PDB

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241n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294353
PNG
(Methyl 4-cyano-2-({(3R,6-methyl-1-[(2-pyrimidin-2-...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H23N5O4/c1-16-8-9-18(34-23-21(25(32)33-2)17(14-26)10-13-29-23)15-30(16)24(31)20-7-4-3-6-19(20)22-27-11-5-12-28-22/h3-7,10-13,16,18H,8-9,15H2,1-2H3/t16-,18-/m1/s1
PDB

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269n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294344
PNG
(US9586950, 12 | methyl 4-cyano-2-{[(3R,6R)-1-{[4- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-c2noc(C)n2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-4-6-17(34-22-20(24(32)33-3)15(11-26)8-9-27-22)12-30(13)23(31)18-7-5-16(25)10-19(18)21-28-14(2)35-29-21/h5,7-10,13,17H,4,6,12H2,1-3H3/t13-,17-/m1/s1
PDB

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332n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294347
PNG
(US9586950, 15 | methyl 4-cyano-2-{[(3R,6R)-1-{[4- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-c2nc(C)no2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-4-6-17(34-22-20(24(32)33-3)15(11-26)8-9-27-22)12-30(13)23(31)18-7-5-16(25)10-19(18)21-28-14(2)29-35-21/h5,7-10,13,17H,4,6,12H2,1-3H3/t13-,17-/m1/s1
PDB

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405n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

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


(Homo sapiens (Human))
BDBM294334
PNG
(US9586950, 3 | methyl 4-cyano-2-{[(3R,6R)-1-{[6- m...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(OC)nc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H23N7O5/c1-14-4-5-16(35-21-19(23(32)34-3)15(12-24)8-9-25-21)13-29(14)22(31)17-6-7-18(33-2)28-20(17)30-26-10-11-27-30/h6-11,14,16H,4-5,13H2,1-3H3/t14-,16-/m1/s1
PDB

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1.42E+3n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294342
PNG
(US9586950, 10 | methyl 4-cyano-2-{[(3R,6R)-6- meth...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2noc(C)n2)nccc1C#N
Show InChI InChI=1S/C24H23N5O5/c1-14-8-9-17(33-22-20(24(31)32-3)16(12-25)10-11-26-22)13-29(14)23(30)19-7-5-4-6-18(19)21-27-15(2)34-28-21/h4-7,10-11,14,17H,8-9,13H2,1-3H3/t14-,17-/m1/s1
PDB

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n/an/a 6.5n/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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294353
PNG
(Methyl 4-cyano-2-({(3R,6-methyl-1-[(2-pyrimidin-2-...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H23N5O4/c1-16-8-9-18(34-23-21(25(32)33-2)17(14-26)10-13-29-23)15-30(16)24(31)20-7-4-3-6-19(20)22-27-11-5-12-28-22/h3-7,10-13,16,18H,8-9,15H2,1-2H3/t16-,18-/m1/s1
PDB

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n/an/a 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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294346
PNG
(US9586950, 14 | methyl 4-cyano-2-{[(3R,6R)-1-{[2- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-c2noc(C)n2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-7-8-16(34-22-19(24(32)33-3)15(11-26)9-10-27-22)12-30(13)23(31)20-17(5-4-6-18(20)25)21-28-14(2)35-29-21/h4-6,9-10,13,16H,7-8,12H2,1-3H3/t13-,16-/m1/s1
PDB

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n/an/a 14.5n/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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294336
PNG
(US9586950, 4 | methyl 4-cyano-2-{[(3R,6R)-1-{[3- f...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(F)c2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H21FN6O4/c1-14-6-7-16(34-21-19(23(32)33-2)15(12-25)8-9-26-21)13-29(14)22(31)17-4-3-5-18(24)20(17)30-27-10-11-28-30/h3-5,8-11,14,16H,6-7,13H2,1-2H3/t14-,16-/m1/s1
PDB

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n/an/a 15.7n/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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294343
PNG
(US9586950, 11 | methyl 4-cyano-2-{[(3R,6R)-1-{[3- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(F)c2-c2noc(C)n2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-7-8-16(34-22-19(24(32)33-3)15(11-26)9-10-27-22)12-30(13)23(31)17-5-4-6-18(25)20(17)21-28-14(2)35-29-21/h4-6,9-10,13,16H,7-8,12H2,1-3H3/t13-,16-/m1/s1
PDB

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n/an/a 16.2n/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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294345
PNG
(US9586950, 13 | methyl 4-cyano-2-{[(3R,6R)-1-{[5- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2noc(C)n2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-4-6-17(34-22-20(24(32)33-3)15(11-26)8-9-27-22)12-30(13)23(31)19-10-16(25)5-7-18(19)21-28-14(2)35-29-21/h5,7-10,13,17H,4,6,12H2,1-3H3/t13-,17-/m1/s1
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n/an/a 16.8n/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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294352
PNG
(US9586950, 19 | methyl 4-cyano-2-{[(3R,6R)-6- meth...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(C)cccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C24H24N6O4/c1-15-5-4-6-19(30-27-11-12-28-30)20(15)23(31)29-14-18(8-7-16(29)2)34-22-21(24(32)33-3)17(13-25)9-10-26-22/h4-6,9-12,16,18H,7-8,14H2,1-3H3/t16-,18-/m1/s1
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n/an/a 16.9n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


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


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294338
PNG
(US9586950, 6 | methyl 4-cyano-2-{[(3R,6R)-1-{[5- f...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H21FN6O4/c1-14-3-5-17(34-21-20(23(32)33-2)15(12-25)7-8-26-21)13-29(14)22(31)18-11-16(24)4-6-19(18)30-27-9-10-28-30/h4,6-11,14,17H,3,5,13H2,1-2H3/t14-,17-/m1/s1
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n/an/a 18.2n/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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294306
PNG
(US9586950, 1)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H22N6O4/c1-15-7-8-17(33-21-20(23(31)32-2)16(13-24)9-10-25-21)14-28(15)22(30)18-5-3-4-6-19(18)29-26-11-12-27-29/h3-6,9-12,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1
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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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294359
PNG
(Methyl 4-cyano-2-(((3R,6R)-1-(2-cyclobutylbenzoyl)...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2C2CCC2)nccc1C#N
Show InChI InChI=1S/C25H27N3O4/c1-16-10-11-19(32-23-22(25(30)31-2)18(14-26)12-13-27-23)15-28(16)24(29)21-9-4-3-8-20(21)17-6-5-7-17/h3-4,8-9,12-13,16-17,19H,5-7,10-11,15H2,1-2H3/t16-,19-/m1/s1
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n/an/a 19.3n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


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


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294333
PNG
(US9586950, 2)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2nc(C)no2)nccc1C#N
Show InChI InChI=1S/C24H23N5O5/c1-14-8-9-17(33-22-20(24(31)32-3)16(12-25)10-11-26-22)13-29(14)23(30)19-7-5-4-6-18(19)21-27-15(2)28-34-21/h4-7,10-11,14,17H,8-9,13H2,1-3H3/t14-,17-/m1/s1
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n/an/a 20.8n/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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294337
PNG
(US9586950, 5 | methyl 4-cyano-2-{[(3R,6R)-1-{[4- f...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H21FN6O4/c1-14-3-5-17(34-21-20(23(32)33-2)15(12-25)7-8-26-21)13-29(14)22(31)18-6-4-16(24)11-19(18)30-27-9-10-28-30/h4,6-11,14,17H,3,5,13H2,1-2H3/t14-,17-/m1/s1
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n/an/a 21.8n/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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294351
PNG
(US9586950, 18 | methyl 4-cyano-2-{[(3R,6R)-6- meth...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(C)ccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C24H24N6O4/c1-15-4-7-20(30-27-10-11-28-30)19(12-15)23(31)29-14-18(6-5-16(29)2)34-22-21(24(32)33-3)17(13-25)8-9-26-22/h4,7-12,16,18H,5-6,14H2,1-3H3/t16-,18-/m1/s1
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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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294353
PNG
(Methyl 4-cyano-2-({(3R,6-methyl-1-[(2-pyrimidin-2-...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H23N5O4/c1-16-8-9-18(34-23-21(25(32)33-2)17(14-26)10-13-29-23)15-30(16)24(31)20-7-4-3-6-19(20)22-27-11-5-12-28-22/h3-7,10-13,16,18H,8-9,15H2,1-2H3/t16-,18-/m1/s1
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n/an/a 23.8n/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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294339
PNG
(US9586950, 7 | methyl 4-cyano-2-{[(3R,6R)-1-{[2- f...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H21FN6O4/c1-14-6-7-16(34-21-19(23(32)33-2)15(12-25)8-9-26-21)13-29(14)22(31)20-17(24)4-3-5-18(20)30-27-10-11-28-30/h3-5,8-11,14,16H,6-7,13H2,1-2H3/t14-,16-/m1/s1
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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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294349
PNG
(US9586950, 17 | methyl 4-cyano-2-{[(3R,6R)-6- meth...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(C)cc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C24H24N6O4/c1-15-4-7-19(20(12-15)30-27-10-11-28-30)23(31)29-14-18(6-5-16(29)2)34-22-21(24(32)33-3)17(13-25)8-9-26-22/h4,7-12,16,18H,5-6,14H2,1-3H3/t16-,18-/m1/s1
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n/an/a 24.3n/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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294340
PNG
(US9586950, 8 | methyl 4-cyano-2-{[(3R,6R)-1-{[5- f...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2nc(C)no2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-4-6-17(34-22-20(24(32)33-3)15(11-26)8-9-27-22)12-30(13)23(31)19-10-16(25)5-7-18(19)21-28-14(2)29-35-21/h5,7-10,13,17H,4,6,12H2,1-3H3/t13-,17-/m1/s1
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n/an/a 24.9n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


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


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294348
PNG
(US9586950, 16 | methyl 4-cyano-2-{[(3R,6R)-6- meth...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(C)c2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C24H24N6O4/c1-15-5-4-6-19(21(15)30-27-11-12-28-30)23(31)29-14-18(8-7-16(29)2)34-22-20(24(32)33-3)17(13-25)9-10-26-22/h4-6,9-12,16,18H,7-8,14H2,1-3H3/t16-,18-/m1/s1
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n/an/a 27.7n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


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


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294344
PNG
(US9586950, 12 | methyl 4-cyano-2-{[(3R,6R)-1-{[4- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-c2noc(C)n2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-4-6-17(34-22-20(24(32)33-3)15(11-26)8-9-27-22)12-30(13)23(31)18-7-5-16(25)10-19(18)21-28-14(2)35-29-21/h5,7-10,13,17H,4,6,12H2,1-3H3/t13-,17-/m1/s1
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n/an/a 30.2n/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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294347
PNG
(US9586950, 15 | methyl 4-cyano-2-{[(3R,6R)-1-{[4- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-c2nc(C)no2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-4-6-17(34-22-20(24(32)33-3)15(11-26)8-9-27-22)12-30(13)23(31)18-7-5-16(25)10-19(18)21-28-14(2)29-35-21/h5,7-10,13,17H,4,6,12H2,1-3H3/t13-,17-/m1/s1
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n/an/a 31.8n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


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


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294356
PNG
(US9586950, 23 | methyl 4-cyano-2-({(3R,6R)-1-[(5- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H22FN5O4/c1-15-4-6-18(35-23-21(25(33)34-2)16(13-27)8-11-30-23)14-31(15)24(32)20-12-17(26)5-7-19(20)22-28-9-3-10-29-22/h3,5,7-12,15,18H,4,6,14H2,1-2H3/t15-,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
. In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294357
PNG
(US9586950, 24 | methyl 4-cyano-2-({(3R,6R)-1-[(2- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H22FN5O4/c1-15-7-8-17(35-23-20(25(33)34-2)16(13-27)9-12-30-23)14-31(15)24(32)21-18(5-3-6-19(21)26)22-28-10-4-11-29-22/h3-6,9-12,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1
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n/an/a 32.8n/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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294355
PNG
(US9586950, 22 | methyl 4-cyano-2-({(3R,6R)-1-[(4- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H22FN5O4/c1-15-4-6-18(35-23-21(25(33)34-2)16(13-27)8-11-30-23)14-31(15)24(32)19-7-5-17(26)12-20(19)22-28-9-3-10-29-22/h3,5,7-12,15,18H,4,6,14H2,1-2H3/t15-,18-/m1/s1
PDB

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n/an/a 33.6n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


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


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294334
PNG
(US9586950, 3 | methyl 4-cyano-2-{[(3R,6R)-1-{[6- m...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(OC)nc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H23N7O5/c1-14-4-5-16(35-21-19(23(32)34-3)15(12-24)8-9-25-21)13-29(14)22(31)17-6-7-18(33-2)28-20(17)30-26-10-11-27-30/h6-11,14,16H,4-5,13H2,1-3H3/t14-,16-/m1/s1
PDB

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n/an/a 33.8n/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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294354
PNG
(US9586950, 21 | methyl 4-cyano-2-({(3R,6R)-1-[(3- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(F)c2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H22FN5O4/c1-15-7-8-17(35-23-20(25(33)34-2)16(13-27)9-12-30-23)14-31(15)24(32)18-5-3-6-19(26)21(18)22-28-10-4-11-29-22/h3-6,9-12,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1
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n/an/a 36.3n/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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox2r flipr


(Homo sapiens (Human))
BDBM294341
PNG
(US9586950, 9 | methyl 4-cyano-2-{[(3R,6R)-1-{[2- f...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-c2nc(C)no2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-7-8-16(34-22-19(24(32)33-3)15(11-26)9-10-27-22)12-30(13)23(31)20-17(5-4-6-18(20)25)21-28-14(2)29-35-21/h4-6,9-10,13,16H,7-8,12H2,1-3H3/t13-,16-/m1/s1
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n/an/a 38.8n/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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294352
PNG
(US9586950, 19 | methyl 4-cyano-2-{[(3R,6R)-6- meth...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(C)cccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C24H24N6O4/c1-15-5-4-6-19(30-27-11-12-28-30)20(15)23(31)29-14-18(8-7-16(29)2)34-22-21(24(32)33-3)17(13-25)9-10-26-22/h4-6,9-12,16,18H,7-8,14H2,1-3H3/t16-,18-/m1/s1
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n/an/a 208n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


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


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294351
PNG
(US9586950, 18 | methyl 4-cyano-2-{[(3R,6R)-6- meth...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(C)ccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C24H24N6O4/c1-15-4-7-20(30-27-10-11-28-30)19(12-15)23(31)29-14-18(6-5-16(29)2)34-22-21(24(32)33-3)17(13-25)8-9-26-22/h4,7-12,16,18H,5-6,14H2,1-3H3/t16-,18-/m1/s1
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n/an/a 311n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


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


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294348
PNG
(US9586950, 16 | methyl 4-cyano-2-{[(3R,6R)-6- meth...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(C)c2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C24H24N6O4/c1-15-5-4-6-19(21(15)30-27-11-12-28-30)23(31)29-14-18(8-7-16(29)2)34-22-20(24(32)33-3)17(13-25)9-10-26-22/h4-6,9-12,16,18H,7-8,14H2,1-3H3/t16-,18-/m1/s1
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n/an/a 368n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


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


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294357
PNG
(US9586950, 24 | methyl 4-cyano-2-({(3R,6R)-1-[(2- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H22FN5O4/c1-15-7-8-17(35-23-20(25(33)34-2)16(13-27)9-12-30-23)14-31(15)24(32)21-18(5-3-6-19(21)26)22-28-10-4-11-29-22/h3-6,9-12,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1
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n/an/a 380n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


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


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294356
PNG
(US9586950, 23 | methyl 4-cyano-2-({(3R,6R)-1-[(5- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H22FN5O4/c1-15-4-6-18(35-23-21(25(33)34-2)16(13-27)8-11-30-23)14-31(15)24(32)20-12-17(26)5-7-19(20)22-28-9-3-10-29-22/h3,5,7-12,15,18H,4,6,14H2,1-2H3/t15-,18-/m1/s1
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n/an/a 417n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


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


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294353
PNG
(Methyl 4-cyano-2-({(3R,6-methyl-1-[(2-pyrimidin-2-...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H23N5O4/c1-16-8-9-18(34-23-21(25(32)33-2)17(14-26)10-13-29-23)15-30(16)24(31)20-7-4-3-6-19(20)22-27-11-5-12-28-22/h3-7,10-13,16,18H,8-9,15H2,1-2H3/t16-,18-/m1/s1
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n/an/a 417n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


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


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294339
PNG
(US9586950, 7 | methyl 4-cyano-2-{[(3R,6R)-1-{[2- f...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H21FN6O4/c1-14-6-7-16(34-21-19(23(32)33-2)15(12-25)8-9-26-21)13-29(14)22(31)20-17(24)4-3-5-18(20)30-27-10-11-28-30/h3-5,8-11,14,16H,6-7,13H2,1-2H3/t14-,16-/m1/s1
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n/an/a 432n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


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


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294333
PNG
(US9586950, 2)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2nc(C)no2)nccc1C#N
Show InChI InChI=1S/C24H23N5O5/c1-14-8-9-17(33-22-20(24(31)32-3)16(12-25)10-11-26-22)13-29(14)23(30)19-7-5-4-6-18(19)21-27-15(2)28-34-21/h4-7,10-11,14,17H,8-9,13H2,1-3H3/t14-,17-/m1/s1
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n/an/a 584n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


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


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294342
PNG
(US9586950, 10 | methyl 4-cyano-2-{[(3R,6R)-6- meth...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2noc(C)n2)nccc1C#N
Show InChI InChI=1S/C24H23N5O5/c1-14-8-9-17(33-22-20(24(31)32-3)16(12-25)10-11-26-22)13-29(14)23(30)19-7-5-4-6-18(19)21-27-15(2)34-28-21/h4-7,10-11,14,17H,8-9,13H2,1-3H3/t14-,17-/m1/s1
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n/an/a 698n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


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


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294355
PNG
(US9586950, 22 | methyl 4-cyano-2-({(3R,6R)-1-[(4- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H22FN5O4/c1-15-4-6-18(35-23-21(25(33)34-2)16(13-27)8-11-30-23)14-31(15)24(32)19-7-5-17(26)12-20(19)22-28-9-3-10-29-22/h3,5,7-12,15,18H,4,6,14H2,1-2H3/t15-,18-/m1/s1
PDB

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n/an/a 711n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


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


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294306
PNG
(US9586950, 1)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H22N6O4/c1-15-7-8-17(33-21-20(23(31)32-2)16(13-24)9-10-25-21)14-28(15)22(30)18-5-3-4-6-19(18)29-26-11-12-27-29/h3-6,9-12,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1
PDB

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n/an/a 749n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


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


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294354
PNG
(US9586950, 21 | methyl 4-cyano-2-({(3R,6R)-1-[(3- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(F)c2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H22FN5O4/c1-15-7-8-17(35-23-20(25(33)34-2)16(13-27)9-12-30-23)14-31(15)24(32)18-5-3-6-19(26)21(18)22-28-10-4-11-29-22/h3-6,9-12,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1
PDB

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n/an/a 855n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


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


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294343
PNG
(US9586950, 11 | methyl 4-cyano-2-{[(3R,6R)-1-{[3- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(F)c2-c2noc(C)n2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-7-8-16(34-22-19(24(32)33-3)15(11-26)9-10-27-22)12-30(13)23(31)17-5-4-6-18(25)20(17)21-28-14(2)35-29-21/h4-6,9-10,13,16H,7-8,12H2,1-3H3/t13-,16-/m1/s1
PDB

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n/an/a 956n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


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


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294338
PNG
(US9586950, 6 | methyl 4-cyano-2-{[(3R,6R)-1-{[5- f...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H21FN6O4/c1-14-3-5-17(34-21-20(23(32)33-2)15(12-25)7-8-26-21)13-29(14)22(31)18-11-16(24)4-6-19(18)30-27-9-10-28-30/h4,6-11,14,17H,3,5,13H2,1-2H3/t14-,17-/m1/s1
PDB

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n/an/a 971n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


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


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294337
PNG
(US9586950, 5 | methyl 4-cyano-2-{[(3R,6R)-1-{[4- f...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H21FN6O4/c1-14-3-5-17(34-21-20(23(32)33-2)15(12-25)7-8-26-21)13-29(14)22(31)18-6-4-16(24)11-19(18)30-27-9-10-28-30/h4,6-11,14,17H,3,5,13H2,1-2H3/t14-,17-/m1/s1
PDB

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n/an/a 1.01E+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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294336
PNG
(US9586950, 4 | methyl 4-cyano-2-{[(3R,6R)-1-{[3- f...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(F)c2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H21FN6O4/c1-14-6-7-16(34-21-19(23(32)33-2)15(12-25)8-9-26-21)13-29(14)22(31)17-4-3-5-18(24)20(17)30-27-10-11-28-30/h3-5,8-11,14,16H,6-7,13H2,1-2H3/t14-,16-/m1/s1
PDB

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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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294345
PNG
(US9586950, 13 | methyl 4-cyano-2-{[(3R,6R)-1-{[5- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2noc(C)n2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-4-6-17(34-22-20(24(32)33-3)15(11-26)8-9-27-22)12-30(13)23(31)19-10-16(25)5-7-18(19)21-28-14(2)35-29-21/h5,7-10,13,17H,4,6,12H2,1-3H3/t13-,17-/m1/s1
PDB

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n/an/a 1.03E+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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294359
PNG
(Methyl 4-cyano-2-(((3R,6R)-1-(2-cyclobutylbenzoyl)...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2C2CCC2)nccc1C#N
Show InChI InChI=1S/C25H27N3O4/c1-16-10-11-19(32-23-22(25(30)31-2)18(14-26)12-13-27-23)15-28(16)24(29)21-9-4-3-8-20(21)17-6-5-7-17/h3-4,8-9,12-13,16-17,19H,5-7,10-11,15H2,1-2H3/t16-,19-/m1/s1
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US Patent
n/an/a 1.10E+3n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


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


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294353
PNG
(Methyl 4-cyano-2-({(3R,6-methyl-1-[(2-pyrimidin-2-...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C25H23N5O4/c1-16-8-9-18(34-23-21(25(32)33-2)17(14-26)10-13-29-23)15-30(16)24(31)20-7-4-3-6-19(20)22-27-11-5-12-28-22/h3-7,10-13,16,18H,8-9,15H2,1-2H3/t16-,18-/m1/s1
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n/an/a 1.29E+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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294349
PNG
(US9586950, 17 | methyl 4-cyano-2-{[(3R,6R)-6- meth...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(C)cc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C24H24N6O4/c1-15-4-7-19(20(12-15)30-27-10-11-28-30)23(31)29-14-18(6-5-16(29)2)34-22-21(24(32)33-3)17(13-25)8-9-26-22/h4,7-12,16,18H,5-6,14H2,1-3H3/t16-,18-/m1/s1
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n/an/a 1.44E+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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294340
PNG
(US9586950, 8 | methyl 4-cyano-2-{[(3R,6R)-1-{[5- f...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2nc(C)no2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-4-6-17(34-22-20(24(32)33-3)15(11-26)8-9-27-22)12-30(13)23(31)19-10-16(25)5-7-18(19)21-28-14(2)29-35-21/h5,7-10,13,17H,4,6,12H2,1-3H3/t13-,17-/m1/s1
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n/an/a 1.47E+3n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


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


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294346
PNG
(US9586950, 14 | methyl 4-cyano-2-{[(3R,6R)-1-{[2- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-c2noc(C)n2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-7-8-16(34-22-19(24(32)33-3)15(11-26)9-10-27-22)12-30(13)23(31)20-17(5-4-6-18(20)25)21-28-14(2)35-29-21/h4-6,9-10,13,16H,7-8,12H2,1-3H3/t13-,16-/m1/s1
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n/an/a 1.68E+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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294341
PNG
(US9586950, 9 | methyl 4-cyano-2-{[(3R,6R)-1-{[2- f...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-c2nc(C)no2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-7-8-16(34-22-19(24(32)33-3)15(11-26)9-10-27-22)12-30(13)23(31)20-17(5-4-6-18(20)25)21-28-14(2)29-35-21/h4-6,9-10,13,16H,7-8,12H2,1-3H3/t13-,16-/m1/s1
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n/an/a 1.89E+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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294344
PNG
(US9586950, 12 | methyl 4-cyano-2-{[(3R,6R)-1-{[4- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-c2noc(C)n2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-4-6-17(34-22-20(24(32)33-3)15(11-26)8-9-27-22)12-30(13)23(31)18-7-5-16(25)10-19(18)21-28-14(2)35-29-21/h5,7-10,13,17H,4,6,12H2,1-3H3/t13-,17-/m1/s1
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n/an/a 2.53E+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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294347
PNG
(US9586950, 15 | methyl 4-cyano-2-{[(3R,6R)-1-{[4- ...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-c2nc(C)no2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O5/c1-13-4-6-17(34-22-20(24(32)33-3)15(11-26)8-9-27-22)12-30(13)23(31)18-7-5-16(25)10-19(18)21-28-14(2)29-35-21/h5,7-10,13,17H,4,6,12H2,1-3H3/t13-,17-/m1/s1
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n/an/a 3.08E+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 ...


US Patent US9586950 (2017)

More data for this
Ligand-Target Pair
hox1r flipr


(Homo sapiens (Human))
BDBM294334
PNG
(US9586950, 3 | methyl 4-cyano-2-{[(3R,6R)-1-{[6- m...)
Show SMILES COC(=O)c1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(OC)nc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H23N7O5/c1-14-4-5-16(35-21-19(23(32)34-3)15(12-24)8-9-25-21)13-29(14)22(31)17-6-7-18(33-2)28-20(17)30-26-10-11-27-30/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
. In a typical experiment the OX1 and OX2 receptor antagonistic activity of the compounds of the present invention was determined in accordance with ...


US Patent US9586950 (2017)

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