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Patent code US9732075

Compile Data Set for Download or QSAR

Found 1982 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 1


(Homo sapiens (Human))
BDBM334744
PNG
(US9732075, Example 4.102 | [(2S,3S)-2-(5-Chloro-6-...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2cc(Cl)c(C)cc2[nH]1)C(=O)c1cc(C)ccc1-c1ccccn1
Show InChI InChI=1S/C26H25ClN4O/c1-15-7-8-18(21-6-4-5-10-28-21)19(12-15)26(32)31-11-9-16(2)24(31)25-29-22-13-17(3)20(27)14-23(22)30-25/h4-8,10,12-14,16,24H,9,11H2,1-3H3,(H,29,30)/t16-,24-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334744
PNG
(US9732075, Example 4.102 | [(2S,3S)-2-(5-Chloro-6-...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2cc(Cl)c(C)cc2[nH]1)C(=O)c1cc(C)ccc1-c1ccccn1
Show InChI InChI=1S/C26H25ClN4O/c1-15-7-8-18(21-6-4-5-10-28-21)19(12-15)26(32)31-11-9-16(2)24(31)25-29-22-13-17(3)20(27)14-23(22)30-25/h4-8,10,12-14,16,24H,9,11H2,1-3H3,(H,29,30)/t16-,24-/m0/s1
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n/an/a 103n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334749
PNG
(US9732075, Example 4.107 | [(2S,3S)-2-(5-Chloro-6-...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2cc(Cl)c(C)cc2[nH]1)C(=O)c1c(F)cccc1-c1cccnc1
Show InChI InChI=1S/C25H22ClFN4O/c1-14-8-10-31(23(14)24-29-20-11-15(2)18(26)12-21(20)30-24)25(32)22-17(6-3-7-19(22)27)16-5-4-9-28-13-16/h3-7,9,11-14,23H,8,10H2,1-2H3,(H,29,30)/t14-,23-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334751
PNG
(US9732075, Example 4.109 | [(2S,3S)-2-(5-Chloro-6-...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2cc(Cl)c(C)cc2[nH]1)C(=O)c1ccc(C)cc1-c1ccccn1
Show InChI InChI=1S/C26H25ClN4O/c1-15-7-8-18(19(12-15)21-6-4-5-10-28-21)26(32)31-11-9-16(2)24(31)25-29-22-13-17(3)20(27)14-23(22)30-25/h4-8,10,12-14,16,24H,9,11H2,1-3H3,(H,29,30)/t16-,24-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334764
PNG
(US9732075, Example 4.122 | [(2S,3S)-2-(4-Chloro-1H...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2c(Cl)cccc2[nH]1)C(=O)c1nc(C)sc1-c1cccc(C)c1
Show InChI InChI=1S/C24H23ClN4OS/c1-13-6-4-7-16(12-13)22-20(26-15(3)31-22)24(30)29-11-10-14(2)21(29)23-27-18-9-5-8-17(25)19(18)28-23/h4-9,12,14,21H,10-11H2,1-3H3,(H,27,28)/t14-,21-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334767
PNG
(US9732075, Example 4.125 | [(2S,3S)-2-(4-Chloro-1H...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2c(Cl)cccc2[nH]1)C(=O)c1nc(C)sc1-c1ccc(C)c(C)c1
Show InChI InChI=1S/C25H25ClN4OS/c1-13-8-9-17(12-15(13)3)23-21(27-16(4)32-23)25(31)30-11-10-14(2)22(30)24-28-19-7-5-6-18(26)20(19)29-24/h5-9,12,14,22H,10-11H2,1-4H3,(H,28,29)/t14-,22-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334776
PNG
(US9732075, Example 4.133 | [(2S,3S)-2-(5-Chloro-6-...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2cc(Cl)c(C)cc2[nH]1)C(=O)c1c(F)cccc1-c1ncccn1
Show InChI InChI=1S/C24H21ClFN5O/c1-13-7-10-31(21(13)23-29-18-11-14(2)16(25)12-19(18)30-23)24(32)20-15(5-3-6-17(20)26)22-27-8-4-9-28-22/h3-6,8-9,11-13,21H,7,10H2,1-2H3,(H,29,30)/t13-,21-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM335065
PNG
((4-Methyl-2-pyridin-2-yl-phenyl)-[(S)-2-methyl-2-(...)
Show SMILES Cc1ccc(C(=O)N2CCC[C@@]2(C)c2nc3cc(OC(F)(F)F)ccc3[nH]2)c(c1)-c1ccccn1
Show InChI InChI=1S/C26H23F3N4O2/c1-16-7-9-18(19(14-16)20-6-3-4-12-30-20)23(34)33-13-5-11-25(33,2)24-31-21-10-8-17(15-22(21)32-24)35-26(27,28)29/h3-4,6-10,12,14-15H,5,11,13H2,1-2H3,(H,31,32)/t25-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM335070
PNG
(US9732075, Example 5.245 | [5-(3,4-Dimethyl-phenyl...)
Show SMILES Cc1nc(C(=O)N2CCC[C@@]2(C)c2nc3cc(OC(F)(F)F)ccc3[nH]2)c(s1)-c1ccc(C)c(C)c1
Show InChI InChI=1S/C26H25F3N4O2S/c1-14-6-7-17(12-15(14)2)22-21(30-16(3)36-22)23(34)33-11-5-10-25(33,4)24-31-19-9-8-18(13-20(19)32-24)35-26(27,28)29/h6-9,12-13H,5,10-11H2,1-4H3,(H,31,32)/t25-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM335071
PNG
(US9732075, Example 5.246 | [5-(3,5-Difluoro-phenyl...)
Show SMILES Cc1nc(C(=O)N2CCC[C@@]2(C)c2nc3cc(OC(F)(F)F)ccc3[nH]2)c(s1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C24H19F5N4O2S/c1-12-30-19(20(36-12)13-8-14(25)10-15(26)9-13)21(34)33-7-3-6-23(33,2)22-31-17-5-4-16(11-18(17)32-22)35-24(27,28)29/h4-5,8-11H,3,6-7H2,1-2H3,(H,31,32)/t23-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM335074
PNG
(US9732075, Example 5.249 | [(S)-2-(6-Bromo-4-methy...)
Show SMILES COc1cccc(c1)C#Cc1ccccc1C(=O)N1CCC[C@@]1(C)c1nc2c(C)cc(Br)cc2[nH]1
Show InChI InChI=1S/C29H26BrN3O2/c1-19-16-22(30)18-25-26(19)32-28(31-25)29(2)14-7-15-33(29)27(34)24-11-5-4-9-21(24)13-12-20-8-6-10-23(17-20)35-3/h4-6,8-11,16-18H,7,14-15H2,1-3H3,(H,31,32)/t29-/m0/s1
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IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM335079
PNG
(US9732075, Example 5.254 | [(S)-2-(5-Chloro-4-meth...)
Show SMILES Cc1ccc(cc1C)-c1nc(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c(s1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H28ClFN4OS/c1-17-6-7-21(16-18(17)2)28-35-26(27(39-28)20-8-10-22(33)11-9-20)29(38)37-15-5-14-31(37,4)30-34-24-13-12-23(32)19(3)25(24)36-30/h6-13,16H,5,14-15H2,1-4H3,(H,34,36)/t31-/m0/s1
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n/an/a 9.27E+3n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334783
PNG
((2-Methyl-5-p-tolyl-thiazol-4-yl)-[(2S,3S)-3-methy...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2cc(ccc2[nH]1)C(F)(F)F)C(=O)c1nc(C)sc1-c1ccc(C)cc1
Show InChI InChI=1S/C25H23F3N4OS/c1-13-4-6-16(7-5-13)22-20(29-15(3)34-22)24(33)32-11-10-14(2)21(32)23-30-18-9-8-17(25(26,27)28)12-19(18)31-23/h4-9,12,14,21H,10-11H2,1-3H3,(H,30,31)/t14-,21-/m0/s1
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n/an/a 2.17E+3n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334785
PNG
(US9732075, Example 4.142 | [5-(4-Bromo-phenyl)-2-m...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2cc(ccc2[nH]1)C(F)(F)F)C(=O)c1nc(C)sc1-c1ccc(Br)cc1
Show InChI InChI=1S/C24H20BrF3N4OS/c1-12-9-10-32(20(12)22-30-17-8-5-15(24(26,27)28)11-18(17)31-22)23(33)19-21(34-13(2)29-19)14-3-6-16(25)7-4-14/h3-8,11-12,20H,9-10H2,1-2H3,(H,30,31)/t12-,20-/m0/s1
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n/an/a 2.16E+3n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334792
PNG
(US9732075, Example 4.149 | [5-(4-Fluoro-phenyl)-2-...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2c(cccc2[nH]1)C(F)(F)F)C(=O)c1nc(C)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C24H20F4N4OS/c1-12-10-11-32(20(12)22-30-17-5-3-4-16(18(17)31-22)24(26,27)28)23(33)19-21(34-13(2)29-19)14-6-8-15(25)9-7-14/h3-9,12,20H,10-11H2,1-2H3,(H,30,31)/t12-,20-/m0/s1
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n/an/a 752n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334796
PNG
((2-Methyl-5-p-tolyl-thiazol-4-yl)-[(2S,3S)-3-methy...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2c(cccc2[nH]1)C(F)(F)F)C(=O)c1nc(C)sc1-c1ccc(C)cc1
Show InChI InChI=1S/C25H23F3N4OS/c1-13-7-9-16(10-8-13)22-20(29-15(3)34-22)24(33)32-12-11-14(2)21(32)23-30-18-6-4-5-17(19(18)31-23)25(26,27)28/h4-10,14,21H,11-12H2,1-3H3,(H,30,31)/t14-,21-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334798
PNG
(US9732075, Example 4.155 | [5-(2-Chloro-phenyl)-2-...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2c(cccc2[nH]1)C(F)(F)F)C(=O)c1nc(C)sc1-c1ccccc1Cl
Show InChI InChI=1S/C24H20ClF3N4OS/c1-12-10-11-32(20(12)22-30-17-9-5-7-15(18(17)31-22)24(26,27)28)23(33)19-21(34-13(2)29-19)14-6-3-4-8-16(14)25/h3-9,12,20H,10-11H2,1-2H3,(H,30,31)/t12-,20-/m0/s1
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n/an/a 891n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334801
PNG
((2-Methyl-5-m-tolyl-thiazol-4-yl)-[(2S,3S)-3-methy...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2c(cccc2[nH]1)C(F)(F)F)C(=O)c1nc(C)sc1-c1cccc(C)c1
Show InChI InChI=1S/C25H23F3N4OS/c1-13-6-4-7-16(12-13)22-20(29-15(3)34-22)24(33)32-11-10-14(2)21(32)23-30-18-9-5-8-17(19(18)31-23)25(26,27)28/h4-9,12,14,21H,10-11H2,1-3H3,(H,30,31)/t14-,21-/m0/s1
PDB

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n/an/a 308n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334805
PNG
((4-Chloro-biphenyl-2-yl)-[(2S,3S)-2-(5-chloro-4-me...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2c(C)c(Cl)ccc2[nH]1)C(=O)c1cc(Cl)ccc1-c1ccccc1
Show InChI InChI=1S/C26H23Cl2N3O/c1-15-12-13-31(24(15)25-29-22-11-10-21(28)16(2)23(22)30-25)26(32)20-14-18(27)8-9-19(20)17-6-4-3-5-7-17/h3-11,14-15,24H,12-13H2,1-2H3,(H,29,30)/t15-,24-/m0/s1
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IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334810
PNG
(US9732075, Example 4.167 | [(2S,3S)-2-(5-Chloro-4-...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2c(C)c(Cl)ccc2[nH]1)C(=O)c1ccc(C)cc1-c1ccccn1
Show InChI InChI=1S/C26H25ClN4O/c1-15-7-8-18(19(14-15)21-6-4-5-12-28-21)26(32)31-13-11-16(2)24(31)25-29-22-10-9-20(27)17(3)23(22)30-25/h4-10,12,14,16,24H,11,13H2,1-3H3,(H,29,30)/t16-,24-/m0/s1
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n/an/a 144n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334817
PNG
(US9732075, Example 4.174 | [(2S,3S)-2-(5-Chloro-4-...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2c(C)c(Cl)ccc2[nH]1)C(=O)c1ccc(C)cc1-c1ncccn1
Show InChI InChI=1S/C25H24ClN5O/c1-14-5-6-17(18(13-14)23-27-10-4-11-28-23)25(32)31-12-9-15(2)22(31)24-29-20-8-7-19(26)16(3)21(20)30-24/h4-8,10-11,13,15,22H,9,12H2,1-3H3,(H,29,30)/t15-,22-/m0/s1
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IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334822
PNG
(US9732075, Example 4.179 | [(2S,3S)-2-(5,6-Dimetho...)
Show SMILES COc1cc2nc([nH]c2cc1OC)[C@@H]1[C@@H](C)CCN1C(=O)c1cc(C)ccc1-c1ncccn1
Show InChI InChI=1S/C26H27N5O3/c1-15-6-7-17(24-27-9-5-10-28-24)18(12-15)26(32)31-11-8-16(2)23(31)25-29-19-13-21(33-3)22(34-4)14-20(19)30-25/h5-7,9-10,12-14,16,23H,8,11H2,1-4H3,(H,29,30)/t16-,23-/m0/s1
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IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334831
PNG
(US9732075, Example 5.102 | [(S)-2-(5,6-Dimethyl-1H...)
Show SMILES COc1ccc(cc1)-c1ccccc1C(=O)N1CCC[C@@]1(C)c1nc2cc(C)c(C)cc2[nH]1
Show InChI InChI=1S/C28H29N3O2/c1-18-16-24-25(17-19(18)2)30-27(29-24)28(3)14-7-15-31(28)26(32)23-9-6-5-8-22(23)20-10-12-21(33-4)13-11-20/h5-6,8-13,16-17H,7,14-15H2,1-4H3,(H,29,30)/t28-/m0/s1
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IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334834
PNG
(US9732075, Example 5.105 | [(S)-2-(5,6-Dimethyl-1H...)
Show SMILES Cc1cc2nc([nH]c2cc1C)[C@]1(C)CCCN1C(=O)c1ccccc1-c1cccc(F)c1
Show InChI InChI=1S/C27H26FN3O/c1-17-14-23-24(15-18(17)2)30-26(29-23)27(3)12-7-13-31(27)25(32)22-11-5-4-10-21(22)19-8-6-9-20(28)16-19/h4-6,8-11,14-16H,7,12-13H2,1-3H3,(H,29,30)/t27-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334835
PNG
(US9732075, Example 5.106 | [(S)-2-(5,6-Dimethyl-1H...)
Show SMILES Cc1cccc(c1)-c1ccccc1C(=O)N1CCC[C@@]1(C)c1nc2cc(C)c(C)cc2[nH]1
Show InChI InChI=1S/C28H29N3O/c1-18-9-7-10-21(15-18)22-11-5-6-12-23(22)26(32)31-14-8-13-28(31,4)27-29-24-16-19(2)20(3)17-25(24)30-27/h5-7,9-12,15-17H,8,13-14H2,1-4H3,(H,29,30)/t28-/m0/s1
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IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334836
PNG
(US9732075, Example 5.107 | [(S)-2-(5,6-Dimethyl-1H...)
Show SMILES Cc1ccc(cc1)-c1ccccc1C(=O)N1CCC[C@@]1(C)c1nc2cc(C)c(C)cc2[nH]1
Show InChI InChI=1S/C28H29N3O/c1-18-10-12-21(13-11-18)22-8-5-6-9-23(22)26(32)31-15-7-14-28(31,4)27-29-24-16-19(2)20(3)17-25(24)30-27/h5-6,8-13,16-17H,7,14-15H2,1-4H3,(H,29,30)/t28-/m0/s1
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IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM335095
PNG
(US9732075, Example 5.270 | [(S)-2-(6-Bromo-4,5-dim...)
Show SMILES Cc1ccc(-c2ccccc2)c(c1)C(=O)N1CCC[C@@]1(C)c1nc2c(C)c(C)c(Br)cc2[nH]1
Show InChI InChI=1S/C28H28BrN3O/c1-17-11-12-21(20-9-6-5-7-10-20)22(15-17)26(33)32-14-8-13-28(32,4)27-30-24-16-23(29)18(2)19(3)25(24)31-27/h5-7,9-12,15-16H,8,13-14H2,1-4H3,(H,30,31)/t28-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM335096
PNG
(US9732075, Example 5.271 | [(S)-2-(6-Bromo-4,5-dim...)
Show SMILES Cc1nc(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(C)c(Br)cc3[nH]2)c(s1)-c1ccccc1C
Show InChI InChI=1S/C26H27BrN4OS/c1-14-9-6-7-10-18(14)23-22(28-17(4)33-23)24(32)31-12-8-11-26(31,5)25-29-20-13-19(27)15(2)16(3)21(20)30-25/h6-7,9-10,13H,8,11-12H2,1-5H3,(H,29,30)/t26-/m0/s1
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IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM335105
PNG
(US9732075, Example 5.280 | [(S)-2-(5,6-Dimethoxy-1...)
Show SMILES COc1cc2nc([nH]c2cc1OC)[C@]1(C)CCCN1C(=O)c1cc(C)ccc1-c1ncccn1
Show InChI InChI=1S/C26H27N5O3/c1-16-7-8-17(23-27-10-6-11-28-23)18(13-16)24(32)31-12-5-9-26(31,2)25-29-19-14-21(33-3)22(34-4)15-20(19)30-25/h6-8,10-11,13-15H,5,9,12H2,1-4H3,(H,29,30)/t26-/m0/s1
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IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM335111
PNG
(US9732075, Example 5.286 | [(S)-2-(5-Chloro-6-trif...)
Show SMILES Cc1ccccc1-c1nc(C(=O)N2CCC[C@@]2(C)c2nc3cc(Cl)c(cc3[nH]2)C(F)(F)F)c(s1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H23ClF4N4OS/c1-16-6-3-4-7-19(16)26-38-24(25(41-26)17-8-10-18(32)11-9-17)27(40)39-13-5-12-29(39,2)28-36-22-14-20(30(33,34)35)21(31)15-23(22)37-28/h3-4,6-11,14-15H,5,12-13H2,1-2H3,(H,36,37)/t29-/m0/s1
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IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM335111
PNG
(US9732075, Example 5.286 | [(S)-2-(5-Chloro-6-trif...)
Show SMILES Cc1ccccc1-c1nc(C(=O)N2CCC[C@@]2(C)c2nc3cc(Cl)c(cc3[nH]2)C(F)(F)F)c(s1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H23ClF4N4OS/c1-16-6-3-4-7-19(16)26-38-24(25(41-26)17-8-10-18(32)11-9-17)27(40)39-13-5-12-29(39,2)28-36-22-14-20(30(33,34)35)21(31)15-23(22)37-28/h3-4,6-11,14-15H,5,12-13H2,1-2H3,(H,36,37)/t29-/m0/s1
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n/an/a 4.59E+3n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM335112
PNG
(US9732075, Example 5.287 | [(S)-2-(5-Chloro-6-trif...)
Show SMILES Cc1cccc(c1)-c1nc(C(=O)N2CCC[C@@]2(C)c2nc3cc(Cl)c(cc3[nH]2)C(F)(F)F)c(s1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H23ClF4N4OS/c1-16-5-3-6-18(13-16)26-38-24(25(41-26)17-7-9-19(32)10-8-17)27(40)39-12-4-11-29(39,2)28-36-22-14-20(30(33,34)35)21(31)15-23(22)37-28/h3,5-10,13-15H,4,11-12H2,1-2H3,(H,36,37)/t29-/m0/s1
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n/an/a 1.17E+3n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM335114
PNG
(US9732075, Example 5.289 | [(S)-2-(5-Chloro-6-trif...)
Show SMILES C[C@]1(CCCN1C(=O)c1nc(sc1-c1ccc(F)cc1)-c1ccccc1F)c1nc2cc(Cl)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C29H20ClF5N4OS/c1-28(27-36-21-13-18(29(33,34)35)19(30)14-22(21)37-27)11-4-12-39(28)26(40)23-24(15-7-9-16(31)10-8-15)41-25(38-23)17-5-2-3-6-20(17)32/h2-3,5-10,13-14H,4,11-12H2,1H3,(H,36,37)/t28-/m0/s1
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IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM335115
PNG
(US9732075, Example 5.290 | [(S)-2-(5-Chloro-6-trif...)
Show SMILES C[C@]1(CCCN1C(=O)c1nc(sc1-c1ccc(F)cc1)-c1cccc(F)c1)c1nc2cc(Cl)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C29H20ClF5N4OS/c1-28(27-36-21-13-19(29(33,34)35)20(30)14-22(21)37-27)10-3-11-39(28)26(40)23-24(15-6-8-17(31)9-7-15)41-25(38-23)16-4-2-5-18(32)12-16/h2,4-9,12-14H,3,10-11H2,1H3,(H,36,37)/t28-/m0/s1
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n/an/a 2.14E+3n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334846
PNG
(US9732075, Example 5.116 | [(S)-2-(4,5-Dimethyl-1H...)
Show SMILES Cc1ccc2[nH]c(nc2c1C)[C@]1(C)CCCN1C(=O)c1ccccc1-c1cccc(F)c1
Show InChI InChI=1S/C27H26FN3O/c1-17-12-13-23-24(18(17)2)30-26(29-23)27(3)14-7-15-31(27)25(32)22-11-5-4-10-21(22)19-8-6-9-20(28)16-19/h4-6,8-13,16H,7,14-15H2,1-3H3,(H,29,30)/t27-/m0/s1
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IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334848
PNG
(US9732075, Example 5.118 | [(S)-2-(4,5-Dimethyl-1H...)
Show SMILES Cc1cccc(c1)-c1ccccc1C(=O)N1CCC[C@@]1(C)c1nc2c(C)c(C)ccc2[nH]1
Show InChI InChI=1S/C28H29N3O/c1-18-9-7-10-21(17-18)22-11-5-6-12-23(22)26(32)31-16-8-15-28(31,4)27-29-24-14-13-19(2)20(3)25(24)30-27/h5-7,9-14,17H,8,15-16H2,1-4H3,(H,29,30)/t28-/m0/s1
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IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334854
PNG
(US9732075, Example 5.123 | [(S)-2-(6-Bromo-5-fluor...)
Show SMILES C[C@]1(CCCN1C(=O)c1c(F)cccc1-n1nccn1)c1nc2cc(F)c(Br)cc2[nH]1
Show InChI InChI=1S/C21H17BrF2N6O/c1-21(20-27-15-10-12(22)14(24)11-16(15)28-20)6-3-9-29(21)19(31)18-13(23)4-2-5-17(18)30-25-7-8-26-30/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,27,28)/t21-/m0/s1
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IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334861
PNG
(US9732075, Example 5.13 | [(S)-2-(5-tert-Butyl-1H-...)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2cc(ccc2[nH]1)C(C)(C)C)-n1nccn1
Show InChI InChI=1S/C26H30N6O/c1-17-7-10-22(32-27-12-13-28-32)19(15-17)23(33)31-14-6-11-26(31,5)24-29-20-9-8-18(25(2,3)4)16-21(20)30-24/h7-10,12-13,15-16H,6,11,14H2,1-5H3,(H,29,30)/t26-/m0/s1
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IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334870
PNG
(US9732075, Example 5.138 | [(S)-2-(6-Chloro-5-trif...)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2cc(c(Cl)cc2[nH]1)C(F)(F)F)-n1cccn1
Show InChI InChI=1S/C24H21ClF3N5O/c1-14-5-6-20(33-10-4-8-29-33)15(11-14)21(34)32-9-3-7-23(32,2)22-30-18-12-16(24(26,27)28)17(25)13-19(18)31-22/h4-6,8,10-13H,3,7,9H2,1-2H3,(H,30,31)/t23-/m0/s1
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IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM335119
PNG
(US9732075, Example 5.294 | [5-(4-Fluoro-phenyl)-2-...)
Show SMILES C[C@]1(CCCN1C(=O)c1nc(sc1-c1ccc(F)cc1)-c1ccccc1F)c1nc2ccc(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C29H21F5N4OS/c1-28(27-35-21-12-9-17(29(32,33)34)15-22(21)36-27)13-4-14-38(28)26(39)23-24(16-7-10-18(30)11-8-16)40-25(37-23)19-5-2-3-6-20(19)31/h2-3,5-12,15H,4,13-14H2,1H3,(H,35,36)/t28-/m0/s1
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IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM335120
PNG
(3'-[(S)-2-Methyl-2-(5-trifluoromethyl-1H-benzoimid...)
Show SMILES C[C@]1(CCCN1C(=O)c1cc(ccc1-n1nccn1)-c1cccc(c1)C#N)c1nc2cc(ccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C29H22F3N7O/c1-28(27-36-23-8-7-21(29(30,31)32)16-24(23)37-27)10-3-13-38(28)26(40)22-15-20(19-5-2-4-18(14-19)17-33)6-9-25(22)39-34-11-12-35-39/h2,4-9,11-12,14-16H,3,10,13H2,1H3,(H,36,37)/t28-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM335125
PNG
(US9732075, Example 5.300 | [(S)-2-(5-Chloro-4-meth...)
Show SMILES COc1ccc(-c2cccc(F)c2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1F
Show InChI InChI=1S/C27H24ClF2N3O2/c1-15-19(28)9-10-20-24(15)32-26(31-20)27(2)12-5-13-33(27)25(34)22-18(8-11-21(35-3)23(22)30)16-6-4-7-17(29)14-16/h4,6-11,14H,5,12-13H2,1-3H3,(H,31,32)/t27-/m0/s1
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IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM335127
PNG
(US9732075, Example 5.302 | [(S)-2-(5-Chloro-4-meth...)
Show SMILES COc1ccc(-c2ccc(C)cc2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1F
Show InChI InChI=1S/C28H27ClFN3O2/c1-16-6-8-18(9-7-16)19-10-13-22(35-4)24(30)23(19)26(34)33-15-5-14-28(33,3)27-31-21-12-11-20(29)17(2)25(21)32-27/h6-13H,5,14-15H2,1-4H3,(H,31,32)/t28-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM335128
PNG
(US9732075, Example 5.303 | [(S)-2-(5-Chloro-4-meth...)
Show SMILES COc1ccc(-c2cccc(c2)C(F)(F)F)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1F
Show InChI InChI=1S/C28H24ClF4N3O2/c1-15-19(29)9-10-20-24(15)35-26(34-20)27(2)12-5-13-36(27)25(37)22-18(8-11-21(38-3)23(22)30)16-6-4-7-17(14-16)28(31,32)33/h4,6-11,14H,5,12-13H2,1-3H3,(H,34,35)/t27-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM335131
PNG
(US9732075, Example 5.306 | [(S)-2-(5-Chloro-4-meth...)
Show SMILES COc1ccc(-c2ccc(OC(F)(F)F)cc2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1F
Show InChI InChI=1S/C28H24ClF4N3O3/c1-15-19(29)10-11-20-24(15)35-26(34-20)27(2)13-4-14-36(27)25(37)22-18(9-12-21(38-3)23(22)30)16-5-7-17(8-6-16)39-28(31,32)33/h5-12H,4,13-14H2,1-3H3,(H,34,35)/t27-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM335132
PNG
(2'-[(S)-2-(5-Chloro-4-methyl-1H-benzoimidazol-2-yl...)
Show SMILES COc1ccc(-c2cccc(c2)C#N)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1F
Show InChI InChI=1S/C28H24ClFN4O2/c1-16-20(29)9-10-21-25(16)33-27(32-21)28(2)12-5-13-34(28)26(35)23-19(8-11-22(36-3)24(23)30)18-7-4-6-17(14-18)15-31/h4,6-11,14H,5,12-13H2,1-3H3,(H,32,33)/t28-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM335134
PNG
(US9732075, Example 5.309 | [(S)-2-(5-Chloro-4-meth...)
Show SMILES COc1ccc(-c2cccc(OC(F)(F)F)c2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1F
Show InChI InChI=1S/C28H24ClF4N3O3/c1-15-19(29)9-10-20-24(15)35-26(34-20)27(2)12-5-13-36(27)25(37)22-18(8-11-21(38-3)23(22)30)16-6-4-7-17(14-16)39-28(31,32)33/h4,6-11,14H,5,12-13H2,1-3H3,(H,34,35)/t27-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM335144
PNG
(US9732075, Example 6.106 | [5-(4-Fluoro-phenyl)-2-...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3cccc(C)c3[nH]2)c(s1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H21FN4OS/c1-13-11-19(23-27-18-6-4-5-14(2)20(18)28-23)29(12-13)24(30)21-22(31-15(3)26-21)16-7-9-17(25)10-8-16/h4-10,19H,1,11-12H2,2-3H3,(H,27,28)/t19-/m0/s1
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n/an/a 99n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM335145
PNG
(US9732075, Example 6.107 | [5-(3,5-Dimethyl-phenyl...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3cccc(C)c3[nH]2)c(s1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C26H26N4OS/c1-14-9-15(2)11-19(10-14)24-23(27-18(5)32-24)26(31)30-13-16(3)12-21(30)25-28-20-8-6-7-17(4)22(20)29-25/h6-11,21H,3,12-13H2,1-2,4-5H3,(H,28,29)/t21-/m0/s1
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n/an/a 74n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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


(Homo sapiens (Human))
BDBM334873
PNG
(US9732075, Example 5.140 | [(S)-2-(6-Chloro-5-trif...)
Show SMILES Cc1ccc(C(=O)N2CCC[C@@]2(C)c2nc3cc(c(Cl)cc3[nH]2)C(F)(F)F)c(c1)-n1nccn1
Show InChI InChI=1S/C23H20ClF3N6O/c1-13-4-5-14(19(10-13)33-28-7-8-29-33)20(34)32-9-3-6-22(32,2)21-30-17-11-15(23(25,26)27)16(24)12-18(17)31-21/h4-5,7-8,10-12H,3,6,9H2,1-2H3,(H,30,31)/t22-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)

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