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Patent code US9029364

Compile Data Set for Download or QSAR
Found 34 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))
BDBM158195
PNG
(US9029364, 1)
Show SMILES C[C@@H]1CS[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C21H22FN5O2S/c1-14-3-5-19(27-24-7-8-25-27)18(9-14)21(28)26-11-17(30-13-15(26)2)12-29-20-6-4-16(22)10-23-20/h3-10,15,17H,11-13H2,1-2H3/t15-,17-/m1/s1
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US Patent
0.380n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM158195
PNG
(US9029364, 1)
Show SMILES C[C@@H]1CS[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C21H22FN5O2S/c1-14-3-5-19(27-24-7-8-25-27)18(9-14)21(28)26-11-17(30-13-15(26)2)12-29-20-6-4-16(22)10-23-20/h3-10,15,17H,11-13H2,1-2H3/t15-,17-/m1/s1
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0.840n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM158205
PNG
(US9029364, 3)
Show SMILES C[C@@H]1CS[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C20H20FN5O2S/c1-14-13-29-16(12-28-19-7-6-15(21)10-22-19)11-25(14)20(27)17-4-2-3-5-18(17)26-23-8-9-24-26/h2-10,14,16H,11-13H2,1H3/t14-,16-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM158197
PNG
(US9029364, 5)
Show SMILES C[C@@H]1CS[C@@H](COc2ccc(Cl)cn2)CN1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H20ClN5O2S/c1-14-13-29-16(12-28-19-7-6-15(21)10-22-19)11-25(14)20(27)17-4-2-3-5-18(17)26-23-8-9-24-26/h2-10,14,16H,11-13H2,1H3/t14-,16-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM158199
PNG
(US9029364, 8)
Show SMILES C[C@@H]1CS[C@@H](COc2ncccc2Cl)CN1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H20ClN5O2S/c1-14-13-29-15(12-28-19-17(21)6-4-8-22-19)11-25(14)20(27)16-5-2-3-7-18(16)26-23-9-10-24-26/h2-10,14-15H,11-13H2,1H3/t14-,15-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM158197
PNG
(US9029364, 5)
Show SMILES C[C@@H]1CS[C@@H](COc2ccc(Cl)cn2)CN1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H20ClN5O2S/c1-14-13-29-16(12-28-19-7-6-15(21)10-22-19)11-25(14)20(27)17-4-2-3-5-18(17)26-23-8-9-24-26/h2-10,14,16H,11-13H2,1H3/t14-,16-/m1/s1
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5.80n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM158202
PNG
(US9029364, 13)
Show SMILES C[C@@H]1CS[C@@H](COc2ncc(C)c(Cl)n2)CN1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H21ClN6O2S/c1-13-9-22-20(25-18(13)21)29-11-15-10-26(14(2)12-30-15)19(28)16-5-3-4-6-17(16)27-23-7-8-24-27/h3-9,14-15H,10-12H2,1-2H3/t14-,15-/m1/s1
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7.40n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM158205
PNG
(US9029364, 3)
Show SMILES C[C@@H]1CS[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C20H20FN5O2S/c1-14-13-29-16(12-28-19-7-6-15(21)10-22-19)11-25(14)20(27)17-4-2-3-5-18(17)26-23-8-9-24-26/h2-10,14,16H,11-13H2,1H3/t14-,16-/m1/s1
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7.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM158196
PNG
(US9029364, 4)
Show SMILES C[C@@H]1CS[C@@H](COc2ccc(C)cn2)CN1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H23N5O2S/c1-15-7-8-20(22-11-15)28-13-17-12-25(16(2)14-29-17)21(27)18-5-3-4-6-19(18)26-23-9-10-24-26/h3-11,16-17H,12-14H2,1-2H3/t16-,17-/m1/s1
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9.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM158204
PNG
(US9029364, 2)
Show SMILES C[C@@H]1CS[C@@H](COc2ccccn2)CN1C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C20H21N5O2S/c1-15-14-28-16(13-27-19-8-4-5-9-21-19)12-24(15)20(26)17-6-2-3-7-18(17)25-22-10-11-23-25/h2-11,15-16H,12-14H2,1H3/t15-,16-/m1/s1
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15.3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM158196
PNG
(US9029364, 4)
Show SMILES C[C@@H]1CS[C@@H](COc2ccc(C)cn2)CN1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H23N5O2S/c1-15-7-8-20(22-11-15)28-13-17-12-25(16(2)14-29-17)21(27)18-5-3-4-6-19(18)26-23-9-10-24-26/h3-11,16-17H,12-14H2,1-2H3/t16-,17-/m1/s1
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25n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM158201
PNG
(US9029364, 12)
Show SMILES C[C@@H]1CS[C@@H](COc2ncc(Cl)c(C)n2)CN1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H21ClN6O2S/c1-13-12-30-15(11-29-20-22-9-17(21)14(2)25-20)10-26(13)19(28)16-5-3-4-6-18(16)27-23-7-8-24-27/h3-9,13,15H,10-12H2,1-2H3/t13-,15-/m1/s1
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32n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM158206
PNG
(US9029364, 6)
Show SMILES C[C@@H]1CS[C@@H](COc2ccc(cn2)C#N)CN1C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C21H20N6O2S/c1-15-14-30-17(13-29-20-7-6-16(10-22)11-23-20)12-26(15)21(28)18-4-2-3-5-19(18)27-24-8-9-25-27/h2-9,11,15,17H,12-14H2,1H3/t15-,17-/m1/s1
PDB

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47n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM158204
PNG
(US9029364, 2)
Show SMILES C[C@@H]1CS[C@@H](COc2ccccn2)CN1C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C20H21N5O2S/c1-15-14-28-16(13-27-19-8-4-5-9-21-19)12-24(15)20(26)17-6-2-3-7-18(17)25-22-10-11-23-25/h2-11,15-16H,12-14H2,1H3/t15-,16-/m1/s1
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55n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM158198
PNG
(US9029364, 7)
Show SMILES C[C@@H]1CS[C@@H](COc2ccc(cn2)C(F)(F)F)CN1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H20F3N5O2S/c1-14-13-32-16(12-31-19-7-6-15(10-25-19)21(22,23)24)11-28(14)20(30)17-4-2-3-5-18(17)29-26-8-9-27-29/h2-10,14,16H,11-13H2,1H3/t14-,16-/m1/s1
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66n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM158199
PNG
(US9029364, 8)
Show SMILES C[C@@H]1CS[C@@H](COc2ncccc2Cl)CN1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H20ClN5O2S/c1-14-13-29-15(12-28-19-17(21)6-4-8-22-19)11-25(14)20(27)16-5-2-3-7-18(16)26-23-9-10-24-26/h2-10,14-15H,11-13H2,1H3/t14-,15-/m1/s1
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75.7n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM158194
PNG
(US9029364, 17)
Show SMILES C[C@@H]1CS[C@@H](CSc2ccccn2)CN1C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C20H21N5OS2/c1-15-13-27-16(14-28-19-8-4-5-9-21-19)12-24(15)20(26)17-6-2-3-7-18(17)25-22-10-11-23-25/h2-11,15-16H,12-14H2,1H3/t15-,16-/m1/s1
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98n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM158201
PNG
(US9029364, 12)
Show SMILES C[C@@H]1CS[C@@H](COc2ncc(Cl)c(C)n2)CN1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H21ClN6O2S/c1-13-12-30-15(11-29-20-22-9-17(21)14(2)25-20)10-26(13)19(28)16-5-3-4-6-18(16)27-23-7-8-24-27/h3-9,13,15H,10-12H2,1-2H3/t13-,15-/m1/s1
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101n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM158200
PNG
(US9029364, 10)
Show SMILES C[C@@H]1CS[C@@H](COc2cc(C)ccn2)CN1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H23N5O2S/c1-15-7-8-22-20(11-15)28-13-17-12-25(16(2)14-29-17)21(27)18-5-3-4-6-19(18)26-23-9-10-24-26/h3-11,16-17H,12-14H2,1-2H3/t16-,17-/m1/s1
PDB

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110n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM158198
PNG
(US9029364, 7)
Show SMILES C[C@@H]1CS[C@@H](COc2ccc(cn2)C(F)(F)F)CN1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H20F3N5O2S/c1-14-13-32-16(12-31-19-7-6-15(10-25-19)21(22,23)24)11-28(14)20(30)17-4-2-3-5-18(17)29-26-8-9-27-29/h2-10,14,16H,11-13H2,1H3/t14-,16-/m1/s1
PDB

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US Patent
121n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM158207
PNG
(US9029364, 9)
Show SMILES C[C@@H]1CS[C@@H](COc2ncccc2C#N)CN1C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C21H20N6O2S/c1-15-14-30-17(13-29-20-16(11-22)5-4-8-23-20)12-26(15)21(28)18-6-2-3-7-19(18)27-24-9-10-25-27/h2-10,15,17H,12-14H2,1H3/t15-,17-/m1/s1
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150n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM158203
PNG
(US9029364, 14)
Show SMILES COc1cnc(OC[C@H]2CN([C@H](C)CS2)C(=O)c2ccccc2-n2nccn2)nc1Cl
Show InChI InChI=1S/C20H21ClN6O3S/c1-13-12-31-14(11-30-20-22-9-17(29-2)18(21)25-20)10-26(13)19(28)15-5-3-4-6-16(15)27-23-7-8-24-27/h3-9,13-14H,10-12H2,1-2H3/t13-,14-/m1/s1
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US Patent
155n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM158192
PNG
(US9029364, 15)
Show SMILES C[C@@H]1CS(=O)[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C20H20FN5O3S/c1-14-13-30(28)16(12-29-19-7-6-15(21)10-22-19)11-25(14)20(27)17-4-2-3-5-18(17)26-23-8-9-24-26/h2-10,14,16H,11-13H2,1H3/t14-,16-,30?/m1/s1
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US Patent
170n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM158200
PNG
(US9029364, 10)
Show SMILES C[C@@H]1CS[C@@H](COc2cc(C)ccn2)CN1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H23N5O2S/c1-15-7-8-22-20(11-15)28-13-17-12-25(16(2)14-29-17)21(27)18-5-3-4-6-19(18)26-23-9-10-24-26/h3-11,16-17H,12-14H2,1-2H3/t16-,17-/m1/s1
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192n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM158193
PNG
(US9029364, 16)
Show SMILES C[C@@H]1CS(=O)(=O)[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C20H20FN5O4S/c1-14-13-31(28,29)16(12-30-19-7-6-15(21)10-22-19)11-25(14)20(27)17-4-2-3-5-18(17)26-23-8-9-24-26/h2-10,14,16H,11-13H2,1H3/t14-,16-/m1/s1
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US Patent
260n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM158206
PNG
(US9029364, 6)
Show SMILES C[C@@H]1CS[C@@H](COc2ccc(cn2)C#N)CN1C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C21H20N6O2S/c1-15-14-30-17(13-29-20-7-6-16(10-22)11-23-20)12-26(15)21(28)18-4-2-3-5-19(18)27-24-8-9-25-27/h2-9,11,15,17H,12-14H2,1H3/t15-,17-/m1/s1
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US Patent
346n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM158193
PNG
(US9029364, 16)
Show SMILES C[C@@H]1CS(=O)(=O)[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C20H20FN5O4S/c1-14-13-31(28,29)16(12-30-19-7-6-15(21)10-22-19)11-25(14)20(27)17-4-2-3-5-18(17)26-23-8-9-24-26/h2-10,14,16H,11-13H2,1H3/t14-,16-/m1/s1
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400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM158202
PNG
(US9029364, 13)
Show SMILES C[C@@H]1CS[C@@H](COc2ncc(C)c(Cl)n2)CN1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C20H21ClN6O2S/c1-13-9-22-20(25-18(13)21)29-11-15-10-26(14(2)12-30-15)19(28)16-5-3-4-6-17(16)27-23-7-8-24-27/h3-9,14-15H,10-12H2,1-2H3/t14-,15-/m1/s1
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1.12E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM158208
PNG
(US9029364, 11)
Show SMILES C[C@@H]1CS[C@@H](COc2ncccn2)CN1C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C19H20N6O2S/c1-14-13-28-15(12-27-19-20-7-4-8-21-19)11-24(14)18(26)16-5-2-3-6-17(16)25-22-9-10-23-25/h2-10,14-15H,11-13H2,1H3/t14-,15-/m1/s1
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>1.26E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM158207
PNG
(US9029364, 9)
Show SMILES C[C@@H]1CS[C@@H](COc2ncccc2C#N)CN1C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C21H20N6O2S/c1-15-14-30-17(13-29-20-16(11-22)5-4-8-23-20)12-26(15)21(28)18-6-2-3-7-19(18)27-24-9-10-25-27/h2-10,15,17H,12-14H2,1H3/t15-,17-/m1/s1
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>1.29E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM158203
PNG
(US9029364, 14)
Show SMILES COc1cnc(OC[C@H]2CN([C@H](C)CS2)C(=O)c2ccccc2-n2nccn2)nc1Cl
Show InChI InChI=1S/C20H21ClN6O3S/c1-13-12-31-14(11-30-20-22-9-17(29-2)18(21)25-20)10-26(13)19(28)15-5-3-4-6-16(15)27-23-7-8-24-27/h3-9,13-14H,10-12H2,1-2H3/t13-,14-/m1/s1
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>1.29E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM158192
PNG
(US9029364, 15)
Show SMILES C[C@@H]1CS(=O)[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C20H20FN5O3S/c1-14-13-30(28)16(12-29-19-7-6-15(21)10-22-19)11-25(14)20(27)17-4-2-3-5-18(17)26-23-8-9-24-26/h2-10,14,16H,11-13H2,1H3/t14-,16-,30?/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM158194
PNG
(US9029364, 17)
Show SMILES C[C@@H]1CS[C@@H](CSc2ccccn2)CN1C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C20H21N5OS2/c1-15-13-27-16(14-28-19-8-4-5-9-21-19)12-24(15)20(26)17-6-2-3-7-18(17)25-22-10-11-23-25/h2-11,15-16H,12-14H2,1H3/t15-,16-/m1/s1
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US Patent
2.25E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM158208
PNG
(US9029364, 11)
Show SMILES C[C@@H]1CS[C@@H](COc2ncccn2)CN1C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C19H20N6O2S/c1-14-13-28-15(12-27-19-20-7-4-8-21-19)11-24(14)18(26)16-5-2-3-6-17(16)25-22-9-10-23-25/h2-10,14-15H,11-13H2,1H3/t14-,15-/m1/s1
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>4.65E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as orexin receptor OX1R and/or OX2R antagonists may be readily determined witho...


US Patent US9029364 (2015)


BindingDB Entry DOI: 10.7270/Q2SF2TX1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%