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Patent code US10227336

Compile Data Set for Download or QSAR
Found 32 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))
BDBM368205
PNG
((2R,5S)-2-methyl-5-[1-(1- methylethyl)-1H-pyrazol-...)
Show SMILES CC(C)n1cc(cn1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1/C21H26N6O/c1-15(2)26-14-18(12-24-26)17-9-8-16(3)25(13-17)21(28)19-6-4-5-7-20(19)27-22-10-11-23-27/h4-7,10-12,14-17H,8-9,13H2,1-3H3/t16-,17-/s2
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n/an/a 34n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368207
PNG
((2R,5S)-5-(1-cyclopentyl-1H- pyrazol-4-yl)-2-methy...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cnn(c1)C1CCCC1
Show InChI InChI=1/C23H28N6O/c1-17-10-11-18(19-14-26-28(16-19)20-6-2-3-7-20)15-27(17)23(30)21-8-4-5-9-22(21)29-24-12-13-25-29/h4-5,8-9,12-14,16-18,20H,2-3,6-7,10-11,15H2,1H3/t17-,18-/s2
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n/an/a 39n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368210
PNG
(US10227336, Example 7 | methyl 2-methyl-2-{4-[(3S,...)
Show SMILES COC(=O)C(C)(C)n1cc(cn1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1/C23H28N6O3/c1-16-9-10-17(18-13-26-28(15-18)23(2,3)22(31)32-4)14-27(16)21(30)19-7-5-6-8-20(19)29-24-11-12-25-29/h5-8,11-13,15-17H,9-10,14H2,1-4H3/t16-,17-/s2
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Merck Sharp & Dohme Corp

US Patent


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


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368211
PNG
((2R,5S)-5-(1-cyclobutyl-1H-pyrazol- 4-yl)-2-methyl...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cnn(c1)C1CCC1
Show InChI InChI=1/C22H26N6O/c1-16-9-10-17(18-13-25-27(15-18)19-5-4-6-19)14-26(16)22(29)20-7-2-3-8-21(20)28-23-11-12-24-28/h2-3,7-8,11-13,15-17,19H,4-6,9-10,14H2,1H3/t16-,17-/s2
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Merck Sharp & Dohme Corp

US Patent


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


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368214
PNG
(US10227336, Example 11)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cnn(c1)C1CC1
Show InChI InChI=1/C21H24N6O/c1-15-6-7-16(17-12-24-26(14-17)18-8-9-18)13-25(15)21(28)19-4-2-3-5-20(19)27-22-10-11-23-27/h2-5,10-12,14-16,18H,6-9,13H2,1H3/t15-,16-/s2
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n/an/a 56n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368208
PNG
((2R,5S)-2-methyl-1-{[2-(2H-1,2,3- triazol-2-yl)phe...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cnn(CC(F)(F)F)c1
Show InChI InChI=1/C20H21F3N6O/c1-14-6-7-15(16-10-26-27(11-16)13-20(21,22)23)12-28(14)19(30)17-4-2-3-5-18(17)29-24-8-9-25-29/h2-5,8-11,14-15H,6-7,12-13H2,1H3/t14-,15-/s2
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Merck Sharp & Dohme Corp

US Patent


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


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368218
PNG
((2R,5S)-1-{[4-fluoro-2-(2H-1,2,3- triazol-2-yl)phe...)
Show SMILES CC(C)n1cc(cn1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccc(F)cc1-n1nccn1
Show InChI InChI=1/C21H25FN6O/c1-14(2)27-13-17(11-25-27)16-5-4-15(3)26(12-16)21(29)19-7-6-18(22)10-20(19)28-23-8-9-24-28/h6-11,13-16H,4-5,12H2,1-3H3/t15-,16-/s2
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Merck Sharp & Dohme Corp

US Patent


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


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368206
PNG
((2R,5S)-5-[1-(cyclopropylmethyl)- 1H-pyrazol-4-yl]...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cnn(CC2CC2)c1
Show InChI InChI=1/C22H26N6O/c1-16-6-9-18(19-12-25-26(14-19)13-17-7-8-17)15-27(16)22(29)20-4-2-3-5-21(20)28-23-10-11-24-28/h2-5,10-12,14,16-18H,6-9,13,15H2,1H3/t16-,18-/s2
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Merck Sharp & Dohme Corp

US Patent


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


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368204
PNG
(US10227336, Example 1)
Show SMILES CCn1cc(cn1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1/C20H24N6O/c1-3-24-13-17(12-23-24)16-9-8-15(2)25(14-16)20(27)18-6-4-5-7-19(18)26-21-10-11-22-26/h4-7,10-13,15-16H,3,8-9,14H2,1-2H3/t15-,16-/s2
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n/an/a 139n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368216
PNG
(2[3-({(2R,5S)-2-methy1-5-[1-(1- methylethyl)-1H-py...)
Show SMILES CC(C)n1cc(cn1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccsc1-c1ncccn1
Show InChI InChI=1/C21H25N5OS/c1-14(2)26-13-17(11-24-26)16-6-5-15(3)25(12-16)21(27)18-7-10-28-19(18)20-22-8-4-9-23-20/h4,7-11,13-16H,5-6,12H2,1-3H3/t15-,16-/s2
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Merck Sharp & Dohme Corp

US Patent


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


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368209
PNG
((2R,5S)-5-[1-(2,2-difluoroethyl)-1H- pyrazol-4-yl]...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cnn(CC(F)F)c1
Show InChI InChI=1/C20H22F2N6O/c1-14-6-7-15(16-10-25-26(11-16)13-19(21)22)12-27(14)20(29)17-4-2-3-5-18(17)28-23-8-9-24-28/h2-5,8-11,14-15,19H,6-7,12-13H2,1H3/t14-,15-/s2
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n/an/a 183n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368213
PNG
(US10227336, Example 10)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cnn(CC(C)(C)O)c1
Show InChI InChI=1/C22H28N6O2/c1-16-8-9-17(18-12-25-26(13-18)15-22(2,3)30)14-27(16)21(29)19-6-4-5-7-20(19)28-23-10-11-24-28/h4-7,10-13,16-17,30H,8-9,14-15H2,1-3H3/t16-,17-/s2
PDB

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Merck Sharp & Dohme Corp

US Patent


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


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368219
PNG
((2R,5S)-2-methyl-5-[1-(1- methylethyl)-1H-pyrazol-...)
Show SMILES CC(C)n1cc(cn1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1ncnn1
Show InChI InChI=1/C20H25N7O/c1-14(2)26-12-17(10-22-26)16-9-8-15(3)25(11-16)20(28)18-6-4-5-7-19(18)27-23-13-21-24-27/h4-7,10,12-16H,8-9,11H2,1-3H3/t15-,16-/s2
PDB

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n/an/a 259n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368215
PNG
(US10227336, Example 12)
Show SMILES CC(C)n1cc(cn1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccsc1-n1nccn1
Show InChI InChI=1/C19H24N6OS/c1-13(2)24-12-16(10-22-24)15-5-4-14(3)23(11-15)18(26)17-6-9-27-19(17)25-20-7-8-21-25/h6-10,12-15H,4-5,11H2,1-3H3/t14-,15-/s2
PDB

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Merck Sharp & Dohme Corp

US Patent


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


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368217
PNG
((2R,5S)-2-methyl-5-[1-(1- methylethyl)-1H-pyrazol-...)
Show SMILES CC(C)n1cc(cn1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cscc1-n1nccn1
Show InChI InChI=1/C19H24N6OS/c1-13(2)24-10-16(8-22-24)15-5-4-14(3)23(9-15)19(26)17-11-27-12-18(17)25-20-6-7-21-25/h6-8,10-15H,4-5,9H2,1-3H3/t14-,15-/s2
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Merck Sharp & Dohme Corp

US Patent


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


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368212
PNG
((2R,5S)-2-methyl-5-[1- (tetrahydrofuran-3-yl)-1H-p...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cnn(c1)C1CCOC1
Show InChI InChI=1/C22H26N6O2/c1-16-6-7-17(18-12-25-27(14-18)19-8-11-30-15-19)13-26(16)22(29)20-4-2-3-5-21(20)28-23-9-10-24-28/h2-5,9-10,12,14,16-17,19H,6-8,11,13,15H2,1H3/t16-,17-,19?/s2
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Merck Sharp & Dohme Corp

US Patent


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


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368207
PNG
((2R,5S)-5-(1-cyclopentyl-1H- pyrazol-4-yl)-2-methy...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cnn(c1)C1CCCC1
Show InChI InChI=1/C23H28N6O/c1-17-10-11-18(19-14-26-28(16-19)20-6-2-3-7-20)15-27(17)23(30)21-8-4-5-9-22(21)29-24-12-13-25-29/h4-5,8-9,12-14,16-18,20H,2-3,6-7,10-11,15H2,1H3/t17-,18-/s2
PDB

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n/an/a 1.43E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368210
PNG
(US10227336, Example 7 | methyl 2-methyl-2-{4-[(3S,...)
Show SMILES COC(=O)C(C)(C)n1cc(cn1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1/C23H28N6O3/c1-16-9-10-17(18-13-26-28(15-18)23(2,3)22(31)32-4)14-27(16)21(30)19-7-5-6-8-20(19)29-24-11-12-25-29/h5-8,11-13,15-17H,9-10,14H2,1-4H3/t16-,17-/s2
PDB

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n/an/a 3.05E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368205
PNG
((2R,5S)-2-methyl-5-[1-(1- methylethyl)-1H-pyrazol-...)
Show SMILES CC(C)n1cc(cn1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1/C21H26N6O/c1-15(2)26-14-18(12-24-26)17-9-8-16(3)25(13-17)21(28)19-6-4-5-7-20(19)27-22-10-11-23-27/h4-7,10-12,14-17H,8-9,13H2,1-3H3/t16-,17-/s2
PDB

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n/an/a 3.41E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368211
PNG
((2R,5S)-5-(1-cyclobutyl-1H-pyrazol- 4-yl)-2-methyl...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cnn(c1)C1CCC1
Show InChI InChI=1/C22H26N6O/c1-16-9-10-17(18-13-25-27(15-18)19-5-4-6-19)14-26(16)22(29)20-7-2-3-8-21(20)28-23-11-12-24-28/h2-3,7-8,11-13,15-17,19H,4-6,9-10,14H2,1H3/t16-,17-/s2
PDB

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Merck Sharp & Dohme Corp

US Patent


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


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368206
PNG
((2R,5S)-5-[1-(cyclopropylmethyl)- 1H-pyrazol-4-yl]...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cnn(CC2CC2)c1
Show InChI InChI=1/C22H26N6O/c1-16-6-9-18(19-12-25-26(14-19)13-17-7-8-17)15-27(16)22(29)20-4-2-3-5-21(20)28-23-10-11-24-28/h2-5,10-12,14,16-18H,6-9,13,15H2,1H3/t16-,18-/s2
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n/an/a 7.71E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


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


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368209
PNG
((2R,5S)-5-[1-(2,2-difluoroethyl)-1H- pyrazol-4-yl]...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cnn(CC(F)F)c1
Show InChI InChI=1/C20H22F2N6O/c1-14-6-7-15(16-10-25-26(11-16)13-19(21)22)12-27(14)20(29)17-4-2-3-5-18(17)28-23-8-9-24-28/h2-5,8-11,14-15,19H,6-7,12-13H2,1H3/t14-,15-/s2
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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 th...


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368204
PNG
(US10227336, Example 1)
Show SMILES CCn1cc(cn1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1/C20H24N6O/c1-3-24-13-17(12-23-24)16-9-8-15(2)25(14-16)20(27)18-6-4-5-7-19(18)26-21-10-11-22-26/h4-7,10-13,15-16H,3,8-9,14H2,1-2H3/t15-,16-/s2
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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 th...


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368219
PNG
((2R,5S)-2-methyl-5-[1-(1- methylethyl)-1H-pyrazol-...)
Show SMILES CC(C)n1cc(cn1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1ncnn1
Show InChI InChI=1/C20H25N7O/c1-14(2)26-12-17(10-22-26)16-9-8-15(3)25(11-16)20(28)18-6-4-5-7-19(18)27-23-13-21-24-27/h4-7,10,12-16H,8-9,11H2,1-3H3/t15-,16-/s2
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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 th...


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368208
PNG
((2R,5S)-2-methyl-1-{[2-(2H-1,2,3- triazol-2-yl)phe...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cnn(CC(F)(F)F)c1
Show InChI InChI=1/C20H21F3N6O/c1-14-6-7-15(16-10-26-27(11-16)13-20(21,22)23)12-28(14)19(30)17-4-2-3-5-18(17)29-24-8-9-25-29/h2-5,8-11,14-15H,6-7,12-13H2,1H3/t14-,15-/s2
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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 th...


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368214
PNG
(US10227336, Example 11)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cnn(c1)C1CC1
Show InChI InChI=1/C21H24N6O/c1-15-6-7-16(17-12-24-26(14-17)18-8-9-18)13-25(15)21(28)19-4-2-3-5-20(19)27-22-10-11-23-27/h2-5,10-12,14-16,18H,6-9,13H2,1H3/t15-,16-/s2
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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 th...


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368215
PNG
(US10227336, Example 12)
Show SMILES CC(C)n1cc(cn1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccsc1-n1nccn1
Show InChI InChI=1/C19H24N6OS/c1-13(2)24-12-16(10-22-24)15-5-4-14(3)23(11-15)18(26)17-6-9-27-19(17)25-20-7-8-21-25/h6-10,12-15H,4-5,11H2,1-3H3/t14-,15-/s2
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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 th...


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368212
PNG
((2R,5S)-2-methyl-5-[1- (tetrahydrofuran-3-yl)-1H-p...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cnn(c1)C1CCOC1
Show InChI InChI=1/C22H26N6O2/c1-16-6-7-17(18-12-25-27(14-18)19-8-11-30-15-19)13-26(16)22(29)20-4-2-3-5-21(20)28-23-9-10-24-28/h2-5,9-10,12,14,16-17,19H,6-8,11,13,15H2,1H3/t16-,17-,19?/s2
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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 th...


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368216
PNG
(2[3-({(2R,5S)-2-methy1-5-[1-(1- methylethyl)-1H-py...)
Show SMILES CC(C)n1cc(cn1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccsc1-c1ncccn1
Show InChI InChI=1/C21H25N5OS/c1-14(2)26-13-17(11-24-26)16-6-5-15(3)25(12-16)21(27)18-7-10-28-19(18)20-22-8-4-9-23-20/h4,7-11,13-16H,5-6,12H2,1-3H3/t15-,16-/s2
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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 th...


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368218
PNG
((2R,5S)-1-{[4-fluoro-2-(2H-1,2,3- triazol-2-yl)phe...)
Show SMILES CC(C)n1cc(cn1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccc(F)cc1-n1nccn1
Show InChI InChI=1/C21H25FN6O/c1-14(2)27-13-17(11-25-27)16-5-4-15(3)26(12-16)21(29)19-7-6-18(22)10-20(19)28-23-8-9-24-28/h6-11,13-16H,4-5,12H2,1-3H3/t15-,16-/s2
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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 th...


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368217
PNG
((2R,5S)-2-methyl-5-[1-(1- methylethyl)-1H-pyrazol-...)
Show SMILES CC(C)n1cc(cn1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1cscc1-n1nccn1
Show InChI InChI=1/C19H24N6OS/c1-13(2)24-10-16(8-22-24)15-5-4-14(3)23(9-15)19(26)17-11-27-12-18(17)25-20-6-7-21-25/h6-8,10-15H,4-5,9H2,1-3H3/t14-,15-/s2
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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 th...


US Patent US10227336 (2019)

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


(Homo sapiens (Human))
BDBM368213
PNG
(US10227336, Example 10)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)c1cnn(CC(C)(C)O)c1
Show InChI InChI=1/C22H28N6O2/c1-16-8-9-17(18-12-25-26(13-18)15-22(2,3)30)14-27(16)21(29)19-6-4-5-7-20(19)28-23-10-11-24-28/h4-7,10-13,16-17,30H,8-9,14-15H2,1-3H3/t16-,17-/s2
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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 th...


US Patent US10227336 (2019)

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