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Compile Data Set for Download or QSAR

Found 1667 hits with Last Name = 'skudlarek' and Initial = 'jw'   
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))
BDBM205137
PNG
(3-methyl-2-{[(3r,6r)-6- methyl-1-{[2-(1,3-thiazol-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1nccs1)Oc1nccc(C#N)c1C
Show InChI InChI=1S/C23H22N4O2S/c1-15-7-8-18(29-21-16(2)17(13-24)9-10-25-21)14-27(15)23(28)20-6-4-3-5-19(20)22-26-11-12-30-22/h3-6,9-12,15,18H,7-8,14H2,1-2H3/t15-,18-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM205245
PNG
(3-ethyl-2-{[(3r,6r)-6- methyl-1-{[2-(2h-1,2,3- tri...)
Show SMILES CCc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H24N6O2/c1-3-19-17(14-24)10-11-25-22(19)31-18-9-8-16(2)28(15-18)23(30)20-6-4-5-7-21(20)29-26-12-13-27-29/h4-7,10-13,16,18H,3,8-9,15H2,1-2H3/t16-,18-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM205119
PNG
(2-{[(3r,6r)-1-{[5-fluoro-2- (1,3-thiazol-2- yl)phe...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(F)ccc1-c1nccs1)Oc1nccc(C#N)c1C
Show InChI InChI=1S/C23H21FN4O2S/c1-14-3-5-18(30-21-15(2)16(12-25)7-8-26-21)13-28(14)23(29)20-11-17(24)4-6-19(20)22-27-9-10-31-22/h4,6-11,14,18H,3,5,13H2,1-2H3/t14-,18-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM205108
PNG
(2-{[(3r,6r)-1-{[2-fluoro-6- (1,3-thiazol-2- yl)phe...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1c(F)cccc1-c1nccs1)Oc1nccc(C#N)c1C
Show InChI InChI=1S/C23H21FN4O2S/c1-14-6-7-17(30-21-15(2)16(12-25)8-9-26-21)13-28(14)23(29)20-18(4-3-5-19(20)24)22-27-10-11-31-22/h3-5,8-11,14,17H,6-7,13H2,1-2H3/t14-,17-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM205260
PNG
(US9546152, example 95)
Show SMILES CSc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C22H22N6O2S/c1-15-7-8-17(30-21-20(31-2)16(13-23)9-10-24-21)14-27(15)22(29)18-5-3-4-6-19(18)28-25-11-12-26-28/h3-6,9-12,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM50084394
PNG
(CHEMBL3426145)
Show SMILES CSc1ccnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c1
Show InChI InChI=1S/C21H23N5O2S/c1-15-7-8-16(28-20-13-17(29-2)9-10-22-20)14-25(15)21(27)18-5-3-4-6-19(18)26-23-11-12-24-26/h3-6,9-13,15-16H,7-8,14H2,1-2H3/t15-,16-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-(S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...


Bioorg Med Chem Lett 25: 2488-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.066
BindingDB Entry DOI: 10.7270/Q28S4RN5
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50084384
PNG
(CHEMBL3426135)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C21H20F3N5O2/c1-14-6-7-16(31-19-12-15(8-9-25-19)21(22,23)24)13-28(14)20(30)17-4-2-3-5-18(17)29-26-10-11-27-29/h2-5,8-12,14,16H,6-7,13H2,1H3/t14-,16-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-(S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...


Bioorg Med Chem Lett 25: 2488-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.066
BindingDB Entry DOI: 10.7270/Q28S4RN5
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM205103
PNG
(3-methyl-2-{[(3r,6r)-6- methyl-1-{[3-methyl-2-(2h-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccc(C)c1-n1nccn1)Oc1nccc(C#N)c1C
Show InChI InChI=1S/C23H24N6O2/c1-15-5-4-6-20(21(15)29-26-11-12-27-29)23(30)28-14-19(8-7-16(28)2)31-22-17(3)18(13-24)9-10-25-22/h4-6,9-12,16,19H,7-8,14H2,1-3H3/t16-,19-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM205104
PNG
(2-{[(3r,6r)-1-{[2-methoxy-6- (2h-1,2,3-triazol-2- ...)
Show SMILES COc1cccc(c1C(=O)N1C[C@@H](CC[C@H]1C)Oc1nccc(C#N)c1C)-n1nccn1
Show InChI InChI=1S/C23H24N6O3/c1-15-7-8-18(32-22-16(2)17(13-24)9-10-25-22)14-28(15)23(30)21-19(29-26-11-12-27-29)5-4-6-20(21)31-3/h4-6,9-12,15,18H,7-8,14H2,1-3H3/t15-,18-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM205125
PNG
(2-{[(3r,6r)-1-{[4-fluoro-2- (1,3-thiazol-2- yl)phe...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-c1nccs1)Oc1nccc(C#N)c1C
Show InChI InChI=1S/C23H21FN4O2S/c1-14-3-5-18(30-21-15(2)16(12-25)7-8-26-21)13-28(14)23(29)19-6-4-17(24)11-20(19)22-27-9-10-31-22/h4,6-11,14,18H,3,5,13H2,1-2H3/t14-,18-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM104689
PNG
(US8569311, A-9)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C22H24FN5O2/c1-15-3-7-20(28-25-9-10-26-28)19(11-15)22(29)27-13-17(5-4-16(27)2)14-30-21-8-6-18(23)12-24-21/h3,6-12,16-17H,4-5,13-14H2,1-2H3/t16-,17-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human OX2 receptor in cell membrane by in vitro radioligand binding assay


Bioorg Med Chem Lett 24: 1784-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.026
BindingDB Entry DOI: 10.7270/Q2RV0Q6F
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM205244
PNG
(US9546152, example 92)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1nccc(C#N)c1C1CC1
Show InChI InChI=1S/C24H24N6O2/c1-16-6-9-19(32-23-22(17-7-8-17)18(14-25)10-11-26-23)15-29(16)24(31)20-4-2-3-5-21(20)30-27-12-13-28-30/h2-5,10-13,16-17,19H,6-9,15H2,1H3/t16-,19-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM206334
PNG
(2-({(3r,6r)-1-[(2- cyclobutylphenyl)carbonyl]- 6-m...)
Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2C2CCC2)nccc1C#N
Show InChI InChI=1S/C24H27N3O3/c1-16-10-11-19(30-23-22(29-2)18(14-25)12-13-26-23)15-27(16)24(28)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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0.200n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM205124
PNG
(3-methyl-2-{[(3r,6r)-6- methyl-1-{[2-(1,3-thiazol-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1cscn1)Oc1nccc(C#N)c1C
Show InChI InChI=1S/C23H22N4O2S/c1-15-7-8-18(29-22-16(2)17(11-24)9-10-25-22)12-27(15)23(28)20-6-4-3-5-19(20)21-13-30-14-26-21/h3-6,9-10,13-15,18H,7-8,12H2,1-2H3/t15-,18-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM205105
PNG
(3-methyl-2-{[(3r,6r)-6- methyl-1-{[2-methyl-6-(2h-...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1c(C)cccc1-n1nccn1)Oc1nccc(C#N)c1C
Show InChI InChI=1S/C23H24N6O2/c1-15-5-4-6-20(29-26-11-12-27-29)21(15)23(30)28-14-19(8-7-16(28)2)31-22-17(3)18(13-24)9-10-25-22/h4-6,9-12,16,19H,7-8,14H2,1-3H3/t16-,19-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (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))
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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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))
BDBM205101
PNG
(2-{[(3r,6r)-1-{[2-fluoro-6- (2h-1,2,3-triazol-2- y...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1c(F)cccc1-n1nccn1)Oc1nccc(C#N)c1C
Show InChI InChI=1S/C22H21FN6O2/c1-14-6-7-17(31-21-15(2)16(12-24)8-9-25-21)13-28(14)22(30)20-18(23)4-3-5-19(20)29-26-10-11-27-29/h3-5,8-11,14,17H,6-7,13H2,1-2H3/t14-,17-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM205345
PNG
(US9546152, example 96)
Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C22H22N6O3/c1-15-7-8-17(31-21-20(30-2)16(13-23)9-10-24-21)14-27(15)22(29)18-5-3-4-6-19(18)28-25-11-12-26-28/h3-6,9-12,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM205349
PNG
(US9546152, example 97)
Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(F)c2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C22H21FN6O3/c1-14-6-7-16(32-21-20(31-2)15(12-24)8-9-25-21)13-28(14)22(30)17-4-3-5-18(23)19(17)29-26-10-11-27-29/h3-5,8-11,14,16H,6-7,13H2,1-2H3/t14-,16-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM205352
PNG
(2-{[(3r,6r)-1-{[4-fluoro-2- (2h-1,2,3-triazol-2- y...)
Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(F)cc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C22H21FN6O3/c1-14-3-5-17(32-21-20(31-2)15(12-24)7-8-25-21)13-28(14)22(30)18-6-4-16(23)11-19(18)29-26-9-10-27-29/h4,6-11,14,17H,3,5,13H2,1-2H3/t14-,17-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM205898
PNG
(2-{[(3r,6r)-1-{[2-fluoro-6- (2h-1,2,3-triazol-2- y...)
Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C22H21FN6O3/c1-14-6-7-16(32-21-20(31-2)15(12-24)8-9-25-21)13-28(14)22(30)19-17(23)4-3-5-18(19)29-26-10-11-27-29/h3-5,8-11,14,16H,6-7,13H2,1-2H3/t14-,16-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM205126
PNG
(2-{[(3r,6r)-1-{[5-fluoro-2- (1,3-thiazol-2-yl)pyri...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(F)cnc1-c1nccs1)Oc1nccc(C#N)c1C
Show InChI InChI=1S/C22H20FN5O2S/c1-13-3-4-17(30-20-14(2)15(10-24)5-6-25-20)12-28(13)22(29)18-9-16(23)11-27-19(18)21-26-7-8-31-21/h5-9,11,13,17H,3-4,12H2,1-2H3/t13-,17-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM206340
PNG
(2-({(3r,6r)-1-[(5-fluoro-2- pyrimidin-2- ylphenyl)...)
Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O3/c1-15-4-6-18(33-23-21(32-2)16(13-26)8-11-29-23)14-30(15)24(31)20-12-17(25)5-7-19(20)22-27-9-3-10-28-22/h3,5,7-12,15,18H,4,6,14H2,1-2H3/t15-,18-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM205180
PNG
(US9546152, example 74)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ncccn1)Oc1nccc(C#N)c1C
Show InChI InChI=1S/C24H23N5O2/c1-16-8-9-19(31-23-17(2)18(14-25)10-13-28-23)15-29(16)24(30)21-7-4-3-6-20(21)22-26-11-5-12-27-22/h3-7,10-13,16,19H,8-9,15H2,1-2H3/t16-,19-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM205112
PNG
(2-{[(3r,6r)-1-{[2-fluoro-6- (1,3-thiazol-4- yl)phe...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1c(F)cccc1-c1cscn1)Oc1nccc(C#N)c1C
Show InChI InChI=1S/C23H21FN4O2S/c1-14-6-7-17(30-22-15(2)16(10-25)8-9-26-22)11-28(14)23(29)21-18(4-3-5-19(21)24)20-12-31-13-27-20/h3-5,8-9,12-14,17H,6-7,11H2,1-2H3/t14-,17-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM205118
PNG
(3-methyl-2-{[(3r,6r)-6- methyl-1-{[2-(1,3-oxazol-2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ncco1)Oc1nccc(C#N)c1C
Show InChI InChI=1S/C23H22N4O3/c1-15-7-8-18(30-21-16(2)17(13-24)9-10-25-21)14-27(15)23(28)20-6-4-3-5-19(20)22-26-11-12-29-22/h3-6,9-12,15,18H,7-8,14H2,1-2H3/t15-,18-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM205986
PNG
(3-methoxy-2-{[(3r,6r)-6- methyl-1-{[3-methyl-2-(2h...)
Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cccc(C)c2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H24N6O3/c1-15-5-4-6-19(20(15)29-26-11-12-27-29)23(30)28-14-18(8-7-16(28)2)32-22-21(31-3)17(13-24)9-10-25-22/h4-6,9-12,16,18H,7-8,14H2,1-3H3/t16-,18-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (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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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))
BDBM50084396
PNG
(CHEMBL3426143)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(I)ccn1
Show InChI InChI=1S/C20H20IN5O2/c1-14-6-7-16(28-19-12-15(21)8-9-22-19)13-25(14)20(27)17-4-2-3-5-18(17)26-23-10-11-24-26/h2-5,8-12,14,16H,6-7,13H2,1H3/t14-,16-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-(S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...


Bioorg Med Chem Lett 25: 2488-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.066
BindingDB Entry DOI: 10.7270/Q28S4RN5
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM202473
PNG
(US9546152, example 1)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1nccc(C#N)c1C
Show InChI InChI=1S/C22H22N6O2/c1-15-7-8-18(30-21-16(2)17(13-23)9-10-24-21)14-27(15)22(29)19-5-3-4-6-20(19)28-25-11-12-26-28/h3-6,9-12,15,18H,7-8,14H2,1-2H3/t15-,18-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM203393
PNG
(2-{[(3r,6r)-1-{[4-chloro-2- (2h-1,2,3-triazol-2- y...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(Cl)cc1-n1nccn1)Oc1nccc(C#N)c1C
Show InChI InChI=1S/C22H21ClN6O2/c1-14-3-5-18(31-21-15(2)16(12-24)7-8-25-21)13-28(14)22(30)19-6-4-17(23)11-20(19)29-26-9-10-27-29/h4,6-11,14,18H,3,5,13H2,1-2H3/t14-,18-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM50233292
PNG
(CHEMBL4062167)
Show SMILES COC(=O)c1cccnc1N[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H24N6O3/c1-15-9-10-16(26-20-18(22(30)31-2)7-5-11-23-20)14-27(15)21(29)17-6-3-4-8-19(17)28-24-12-13-25-28/h3-8,11-13,15-16H,9-10,14H2,1-2H3,(H,23,26)/t15-,16-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...


Bioorg Med Chem Lett 27: 1364-1370 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.012
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM206341
PNG
(2-({(3r,6r)-1-[(2-fluoro-2- pyrimidin-2- ylphenyl)...)
Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2c(F)cccc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C24H22FN5O3/c1-15-7-8-17(33-23-21(32-2)16(13-26)9-12-29-23)14-30(15)24(31)20-18(5-3-6-19(20)25)22-27-10-4-11-28-22/h3-6,9-12,15,17H,7-8,14H2,1-2H3/t15-,17-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM205651
PNG
(2-{[(3r,6r)-1-{[5-fluoro-2- (2h-1,2,3-triazol-2- y...)
Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(F)ccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C22H21FN6O3/c1-14-3-5-17(32-21-20(31-2)15(12-24)7-8-25-21)13-28(14)22(30)18-11-16(23)4-6-19(18)29-26-9-10-27-29/h4,6-11,14,17H,3,5,13H2,1-2H3/t14-,17-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM206330
PNG
(3-methoxy-2-{[(3r,6r)-6- methyl-1-{[4-methyl-2-(2h...)
Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccc(C)cc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H24N6O3/c1-15-4-7-19(20(12-15)29-26-10-11-27-29)23(30)28-14-18(6-5-16(28)2)32-22-21(31-3)17(13-24)8-9-25-22/h4,7-12,16,18H,5-6,14H2,1-3H3/t16-,18-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM206332
PNG
(3-methoxy-2-{[(3r,6r)-6- methyl-1-{[5-methyl-2-(2h...)
Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2cc(C)ccc2-n2nccn2)nccc1C#N
Show InChI InChI=1S/C23H24N6O3/c1-15-4-7-20(29-26-10-11-27-29)19(12-15)23(30)28-14-18(6-5-16(28)2)32-22-21(31-3)17(13-24)8-9-25-22/h4,7-12,16,18H,5-6,14H2,1-3H3/t16-,18-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM206336
PNG
(3-methoxy-2- ({(3r,6r)-6-methyl-1- [(2-pyrimidin-2...)
Show SMILES COc1c(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-c2ncccn2)nccc1C#N
Show InChI InChI=1S/C24H23N5O3/c1-16-8-9-18(32-23-21(31-2)17(14-25)10-13-28-23)15-29(16)24(30)20-7-4-3-6-19(20)22-26-11-5-12-27-22/h3-7,10-13,16,18H,8-9,15H2,1-2H3/t16-,18-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM202473
PNG
(US9546152, example 1)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1nccc(C#N)c1C
Show InChI InChI=1S/C22H22N6O2/c1-15-7-8-18(30-21-16(2)17(13-23)9-10-24-21)14-27(15)22(29)19-5-3-4-6-20(19)28-25-11-12-26-28/h3-6,9-12,15,18H,7-8,14H2,1-2H3/t15-,18-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...


Bioorg Med Chem Lett 27: 1364-1370 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.012
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))
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))
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))
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))
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))
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))
BDBM205099
PNG
(2-{[(3r,6r)-1-{[4-fluoro-2- (2h-1,2,3-triazol-2- y...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-n1nccn1)Oc1nccc(C#N)c1C
Show InChI InChI=1S/C22H21FN6O2/c1-14-3-5-18(31-21-15(2)16(12-24)7-8-25-21)13-28(14)22(30)19-6-4-17(23)11-20(19)29-26-9-10-27-29/h4,6-11,14,18H,3,5,13H2,1-2H3/t14-,18-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

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


(Homo sapiens (Human))
BDBM205154
PNG
(3-methyl-2-{[(3r,6r)-6- methyl-1-{[2-(3-methyl-1,2...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1nc(C)no1)Oc1nccc(C#N)c1C
Show InChI InChI=1S/C23H23N5O3/c1-14-8-9-18(30-21-15(2)17(12-24)10-11-25-21)13-28(14)23(29)20-7-5-4-6-19(20)22-26-16(3)27-31-22/h4-7,10-11,14,18H,8-9,13H2,1-3H3/t14-,18-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which the inhibition constant (Ki) is determ...


US Patent US9546152 (2017)

More data for this
Ligand-Target Pair
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