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Patent code US9403813

Compile Data Set for Download or QSAR

Found 270 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 2


(Homo sapiens (Human))
BDBM240183
PNG
(US9403813, 88)
Show SMILES COc1cc(C(=O)N2CC[C@H]2c2noc(n2)-c2cccc(F)c2OC)c(cc1C)-n1nccn1
Show InChI InChI=1S/C23H21FN6O4/c1-13-11-18(30-25-8-9-26-30)15(12-19(13)32-2)23(31)29-10-7-17(29)21-27-22(34-28-21)14-5-4-6-16(24)20(14)33-3/h4-6,8-9,11-12,17H,7,10H2,1-3H3/t17-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240186
PNG
(US9403813, 91)
Show SMILES CCOc1ncccc1-c1nc(no1)[C@@H]1CCN1C(=O)c1cc(C)c(C)cc1-n1nccn1
Show InChI InChI=1S/C23H23N7O3/c1-4-32-21-16(6-5-8-24-21)22-27-20(28-33-22)18-7-11-29(18)23(31)17-12-14(2)15(3)13-19(17)30-25-9-10-26-30/h5-6,8-10,12-13,18H,4,7,11H2,1-3H3/t18-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM50108622
PNG
(CHEMBL3597964 | US9403813, 111)
Show SMILES COc1cc(C(=O)N2CC[C@H]2c2noc(n2)-c2cccc(Cl)c2OC)c(cc1C)-n1nccn1
Show InChI InChI=1S/C23H21ClN6O4/c1-13-11-18(30-25-8-9-26-30)15(12-19(13)32-2)23(31)29-10-7-17(29)21-27-22(34-28-21)14-5-4-6-16(24)20(14)33-3/h4-6,8-9,11-12,17H,7,10H2,1-3H3/t17-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240206
PNG
(US9403813, 112)
Show SMILES COc1cc(C(=O)N2CC[C@H]2c2noc(n2)-c2cccc(Cl)c2OC)c(cc1Cl)-n1nccn1
Show InChI InChI=1S/C22H18Cl2N6O4/c1-32-18-10-13(17(11-15(18)24)30-25-7-8-26-30)22(31)29-9-6-16(29)20-27-21(34-28-20)12-4-3-5-14(23)19(12)33-2/h3-5,7-8,10-11,16H,6,9H2,1-2H3/t16-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240205
PNG
(US9403813, 110)
Show SMILES COc1c(Cl)cccc1-c1nc(no1)[C@@H]1CCN1C(=O)c1cc(C)c(C)cc1-n1nccn1
Show InChI InChI=1S/C23H21ClN6O3/c1-13-11-16(19(12-14(13)2)30-25-8-9-26-30)23(31)29-10-7-18(29)21-27-22(33-28-21)15-5-4-6-17(24)20(15)32-3/h4-6,8-9,11-12,18H,7,10H2,1-3H3/t18-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240193
PNG
(US9403813, 98)
Show SMILES CCOc1ncccc1-c1nc(no1)[C@@H]1CCN1C(=O)c1cc(OC)c(Cl)cc1-n1nccn1
Show InChI InChI=1S/C22H20ClN7O4/c1-3-33-20-13(5-4-7-24-20)21-27-19(28-34-21)16-6-10-29(16)22(31)14-11-18(32-2)15(23)12-17(14)30-25-8-9-26-30/h4-5,7-9,11-12,16H,3,6,10H2,1-2H3/t16-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240194
PNG
(US9403813, 99)
Show SMILES CCOc1ncccc1-c1nc(no1)[C@@H]1CCN1C(=O)c1cc(Cl)c(C)cc1-n1nccn1
Show InChI InChI=1S/C22H20ClN7O3/c1-3-32-20-14(5-4-7-24-20)21-27-19(28-33-21)17-6-10-29(17)22(31)15-12-16(23)13(2)11-18(15)30-25-8-9-26-30/h4-5,7-9,11-12,17H,3,6,10H2,1-2H3/t17-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240187
PNG
(US9403813, 92)
Show SMILES CCOc1ncccc1-c1nc(no1)[C@@H]1CCN1C(=O)c1cc(OC)c(C)cc1-n1nccn1
Show InChI InChI=1S/C23H23N7O4/c1-4-33-21-15(6-5-8-24-21)22-27-20(28-34-22)17-7-11-29(17)23(31)16-13-19(32-3)14(2)12-18(16)30-25-9-10-26-30/h5-6,8-10,12-13,17H,4,7,11H2,1-3H3/t17-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240207
PNG
(US9403813, 113)
Show SMILES COc1c(Cl)cccc1-c1nc(no1)[C@@H]1CCN1C(=O)c1cc(Cl)c(C)cc1-n1nccn1
Show InChI InChI=1S/C22H18Cl2N6O3/c1-12-10-18(30-25-7-8-26-30)14(11-16(12)24)22(31)29-9-6-17(29)20-27-21(33-28-20)13-4-3-5-15(23)19(13)32-2/h3-5,7-8,10-11,17H,6,9H2,1-2H3/t17-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240185
PNG
(US9403813, 90)
Show SMILES CCOc1ncccc1-c1nc(no1)[C@@H]1CCN1C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C22H21N7O3/c1-3-31-20-15(5-4-9-23-20)21-26-19(27-32-21)18-8-12-28(18)22(30)16-13-14(2)6-7-17(16)29-24-10-11-25-29/h4-7,9-11,13,18H,3,8,12H2,1-2H3/t18-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240197
PNG
(US9403813, 102)
Show SMILES Cc1cc(C(=O)N2CC[C@H]2c2noc(n2)-c2cccc(Cl)c2C)c(cc1C)-n1nccn1
Show InChI InChI=1S/C23H21ClN6O2/c1-13-11-17(20(12-14(13)2)30-25-8-9-26-30)23(31)29-10-7-19(29)21-27-22(32-28-21)16-5-4-6-18(24)15(16)3/h4-6,8-9,11-12,19H,7,10H2,1-3H3/t19-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240199
PNG
(US9403813, 104)
Show SMILES COc1cc(C(=O)N2CC[C@H]2c2noc(n2)-c2cccc(Cl)c2C)c(cc1Cl)-n1nccn1
Show InChI InChI=1S/C22H18Cl2N6O3/c1-12-13(4-3-5-15(12)23)21-27-20(28-33-21)17-6-9-29(17)22(31)14-10-19(32-2)16(24)11-18(14)30-25-7-8-26-30/h3-5,7-8,10-11,17H,6,9H2,1-2H3/t17-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM50108621
PNG
(CHEMBL3597963 | US9403813, 28)
Show SMILES COc1cc(C(=O)N2CC[C@H]2c2nc(no2)-c2cccc(Cl)c2C)c(cc1C)-n1nccn1
Show InChI InChI=1S/C23H21ClN6O3/c1-13-11-19(30-25-8-9-26-30)16(12-20(13)32-3)23(31)29-10-7-18(29)22-27-21(28-33-22)15-5-4-6-17(24)14(15)2/h4-6,8-9,11-12,18H,7,10H2,1-3H3/t18-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240165
PNG
(US9403813, 70)
Show SMILES Cc1cc(C(=O)N2CC[C@H]2c2nc(no2)-c2cccc(Cl)c2C)c(cc1C)-n1nccn1
Show InChI InChI=1S/C23H21ClN6O2/c1-13-11-17(20(12-14(13)2)30-25-8-9-26-30)23(31)29-10-7-19(29)22-27-21(28-32-22)16-5-4-6-18(24)15(16)3/h4-6,8-9,11-12,19H,7,10H2,1-3H3/t19-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240208
PNG
(US9403813, 114)
Show SMILES Cc1ccc(-c2ccccc2)c(c1)C(=O)N1CC[C@H]1c1noc(n1)-c1cccc(Cl)c1C
Show InChI InChI=1S/C26H22ClN3O2/c1-16-11-12-20(18-7-4-3-5-8-18)21(15-16)26(31)30-14-13-23(30)24-28-25(32-29-24)19-9-6-10-22(27)17(19)2/h3-12,15,23H,13-14H2,1-2H3/t23-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240198
PNG
(US9403813, 103)
Show SMILES COc1cc(C(=O)N2CC[C@H]2c2noc(n2)-c2cccc(Cl)c2C)c(cc1C)-n1nccn1
Show InChI InChI=1S/C23H21ClN6O3/c1-13-11-19(30-25-8-9-26-30)16(12-20(13)32-3)23(31)29-10-7-18(29)21-27-22(33-28-21)15-5-4-6-17(24)14(15)2/h4-6,8-9,11-12,18H,7,10H2,1-3H3/t18-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240184
PNG
(US9403813, 89)
Show SMILES Cc1cc(C(=O)N2CC[C@H]2c2noc(n2)-c2cccc(F)c2C)c(cc1C)-n1nccn1
Show InChI InChI=1S/C23H21FN6O2/c1-13-11-17(20(12-14(13)2)30-25-8-9-26-30)23(31)29-10-7-19(29)21-27-22(32-28-21)16-5-4-6-18(24)15(16)3/h4-6,8-9,11-12,19H,7,10H2,1-3H3/t19-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240126
PNG
(US9403813, 31)
Show SMILES CCOc1ncccc1-c1noc(n1)[C@@H]1CCN1C(=O)c1cc(C)c(C)cc1-n1nccn1
Show InChI InChI=1S/C23H23N7O3/c1-4-32-21-16(6-5-8-24-21)20-27-22(33-28-20)18-7-11-29(18)23(31)17-12-14(2)15(3)13-19(17)30-25-9-10-26-30/h5-6,8-10,12-13,18H,4,7,11H2,1-3H3/t18-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240180
PNG
(US9403813, 85)
Show SMILES Cc1cc(C(=O)N2CC[C@H]2c2noc(n2)-c2ccccc2OC(F)(F)F)c(cc1C)-n1nccn1
Show InChI InChI=1S/C23H19F3N6O3/c1-13-11-16(18(12-14(13)2)32-27-8-9-28-32)22(33)31-10-7-17(31)20-29-21(35-30-20)15-5-3-4-6-19(15)34-23(24,25)26/h3-6,8-9,11-12,17H,7,10H2,1-2H3/t17-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240204
PNG
(US9403813, 109)
Show SMILES COc1c(Cl)cccc1-c1nc(no1)[C@@H]1CCN1C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C22H19ClN6O3/c1-13-6-7-17(29-24-9-10-25-29)15(12-13)22(30)28-11-8-18(28)20-26-21(32-27-20)14-4-3-5-16(23)19(14)31-2/h3-7,9-10,12,18H,8,11H2,1-2H3/t18-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240191
PNG
(US9403813, 96)
Show SMILES COc1cc(C(=O)N2CC[C@H]2c2noc(n2)-c2cccc(F)c2C)c(cc1Cl)-n1nccn1
Show InChI InChI=1S/C22H18ClFN6O3/c1-12-13(4-3-5-16(12)24)21-27-20(28-33-21)17-6-9-29(17)22(31)14-10-19(32-2)15(23)11-18(14)30-25-7-8-26-30/h3-5,7-8,10-11,17H,6,9H2,1-2H3/t17-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240152
PNG
(US9403813, 57)
Show SMILES Cc1ccc(-c2ccccc2)c(c1)C(=O)N1CC[C@H]1c1nc(no1)-c1cccc(Cl)c1C
Show InChI InChI=1S/C26H22ClN3O2/c1-16-11-12-20(18-7-4-3-5-8-18)21(15-16)26(31)30-14-13-23(30)25-28-24(29-32-25)19-9-6-10-22(27)17(19)2/h3-12,15,23H,13-14H2,1-2H3/t23-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240181
PNG
(US9403813, 86)
Show SMILES COc1cc(C(=O)N2CC[C@H]2c2noc(n2)-c2ccccc2OC(F)(F)F)c(cc1C)-n1nccn1
Show InChI InChI=1S/C23H19F3N6O4/c1-13-11-17(32-27-8-9-28-32)15(12-19(13)34-2)22(33)31-10-7-16(31)20-29-21(36-30-20)14-5-3-4-6-18(14)35-23(24,25)26/h3-6,8-9,11-12,16H,7,10H2,1-2H3/t16-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240117
PNG
(US9403813, 21)
Show SMILES Cc1cc(C(=O)N2CC[C@H]2c2nc(no2)-c2cccc(F)c2C)c(cc1C)-n1nccn1
Show InChI InChI=1S/C23H21FN6O2/c1-13-11-17(20(12-14(13)2)30-25-8-9-26-30)23(31)29-10-7-19(29)22-27-21(28-32-22)16-5-4-6-18(24)15(16)3/h4-6,8-9,11-12,19H,7,10H2,1-3H3/t19-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240134
PNG
(US9403813, 39)
Show SMILES Cc1ccc(-c2ccccc2)c(c1)C(=O)N1CC[C@H]1c1nc(no1)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C26H20F3N3O3/c1-16-11-12-18(17-7-3-2-4-8-17)20(15-16)25(33)32-14-13-21(32)24-30-23(31-35-24)19-9-5-6-10-22(19)34-26(27,28)29/h2-12,15,21H,13-14H2,1H3/t21-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240124
PNG
(US9403813, 29)
Show SMILES COc1cc(C(=O)N2CC[C@H]2c2nc(no2)-c2cccc(F)c2C)c(cc1C)-n1nccn1
Show InChI InChI=1S/C23H21FN6O3/c1-13-11-19(30-25-8-9-26-30)16(12-20(13)32-3)23(31)29-10-7-18(29)22-27-21(28-33-22)15-5-4-6-17(24)14(15)2/h4-6,8-9,11-12,18H,7,10H2,1-3H3/t18-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240213
PNG
(US9403813, 119)
Show SMILES COc1c(Cl)cccc1-c1nc(no1)[C@@H]1CCN1C(=O)c1ccc(Cl)cc1-n1nccn1
Show InChI InChI=1S/C21H16Cl2N6O3/c1-31-18-14(3-2-4-15(18)23)20-26-19(27-32-20)16-7-10-28(16)21(30)13-6-5-12(22)11-17(13)29-24-8-9-25-29/h2-6,8-9,11,16H,7,10H2,1H3/t16-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240212
PNG
(US9403813, 118)
Show SMILES COc1c(Cl)cccc1-c1nc(no1)[C@@H]1CCN1C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C22H19ClN6O3/c1-13-6-7-14(18(12-13)29-24-9-10-25-29)22(30)28-11-8-17(28)20-26-21(32-27-20)15-4-3-5-16(23)19(15)31-2/h3-7,9-10,12,17H,8,11H2,1-2H3/t17-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240224
PNG
(US9403813, 130)
Show SMILES Cc1cc(c(cc1Cl)C(=O)N1CC[C@H]1c1nnc([nH]1)-c1ccccc1OC(F)(F)F)-n1nccn1
Show InChI InChI=1S/C22H17ClF3N7O2/c1-12-10-17(33-27-7-8-28-33)14(11-15(12)23)21(34)32-9-6-16(32)20-29-19(30-31-20)13-4-2-3-5-18(13)35-22(24,25)26/h2-5,7-8,10-11,16H,6,9H2,1H3,(H,29,30,31)/t16-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240129
PNG
(US9403813, 34)
Show SMILES CCOc1ncccc1-c1noc(n1)[C@@H]1CCN1C(=O)c1cc(OC)c(C)cc1-n1nccn1
Show InChI InChI=1S/C23H23N7O4/c1-4-33-21-15(6-5-8-24-21)20-27-22(34-28-20)17-7-11-29(17)23(31)16-13-19(32-3)14(2)12-18(16)30-25-9-10-26-30/h5-6,8-10,12-13,17H,4,7,11H2,1-3H3/t17-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240114
PNG
(US9403813, 18)
Show SMILES Cc1cc(C(=O)N2CC[C@H]2c2nc(no2)-c2ccccc2OC(F)(F)F)c(cc1C)-n1nccn1
Show InChI InChI=1S/C23H19F3N6O3/c1-13-11-16(18(12-14(13)2)32-27-8-9-28-32)22(33)31-10-7-17(31)21-29-20(30-35-21)15-5-3-4-6-19(15)34-23(24,25)26/h3-6,8-9,11-12,17H,7,10H2,1-2H3/t17-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240210
PNG
(US9403813, 116)
Show SMILES COc1cc(C(=O)N2CC[C@H]2c2noc(n2)-c2cccc(Cl)c2C)c(cc1C)-c1ncccn1
Show InChI InChI=1S/C25H22ClN5O3/c1-14-12-17(22-27-9-5-10-28-22)18(13-21(14)33-3)25(32)31-11-8-20(31)23-29-24(34-30-23)16-6-4-7-19(26)15(16)2/h4-7,9-10,12-13,20H,8,11H2,1-3H3/t20-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240225
PNG
(US9403813, 131)
Show SMILES COc1cc(C(=O)N2CC[C@H]2c2nnc([nH]2)-c2ccccc2OC(F)(F)F)c(cc1Cl)-n1nccn1
Show InChI InChI=1S/C22H17ClF3N7O3/c1-35-18-10-13(16(11-14(18)23)33-27-7-8-28-33)21(34)32-9-6-15(32)20-29-19(30-31-20)12-4-2-3-5-17(12)36-22(24,25)26/h2-5,7-8,10-11,15H,6,9H2,1H3,(H,29,30,31)/t15-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240200
PNG
(US9403813, 105)
Show SMILES Cc1cc(c(cc1Cl)C(=O)N1CC[C@H]1c1noc(n1)-c1cccc(Cl)c1C)-n1nccn1
Show InChI InChI=1S/C22H18Cl2N6O2/c1-12-10-19(30-25-7-8-26-30)15(11-17(12)24)22(31)29-9-6-18(29)20-27-21(32-28-20)14-4-3-5-16(23)13(14)2/h3-5,7-8,10-11,18H,6,9H2,1-2H3/t18-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240123
PNG
(US9403813, 27)
Show SMILES COc1cc(C(=O)N2CC[C@H]2c2nc(no2)-c2ccccc2OC(F)(F)F)c(cc1C)-n1nccn1
Show InChI InChI=1S/C23H19F3N6O4/c1-13-11-17(32-27-8-9-28-32)15(12-19(13)34-2)22(33)31-10-7-16(31)21-29-20(30-36-21)14-5-3-4-6-18(14)35-23(24,25)26/h3-6,8-9,11-12,16H,7,10H2,1-2H3/t16-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240223
PNG
(US9403813, 129)
Show SMILES COc1cc(C(=O)N2CC[C@H]2c2nnc([nH]2)-c2ccccc2OC(F)(F)F)c(cc1C)-n1nccn1
Show InChI InChI=1S/C23H20F3N7O3/c1-13-11-17(33-27-8-9-28-33)15(12-19(13)35-2)22(34)32-10-7-16(32)21-29-20(30-31-21)14-5-3-4-6-18(14)36-23(24,25)26/h3-6,8-9,11-12,16H,7,10H2,1-2H3,(H,29,30,31)/t16-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240190
PNG
(US9403813, 95)
Show SMILES Cc1cc(c(cc1Cl)C(=O)N1CC[C@H]1c1noc(n1)-c1ccccc1OC(F)(F)F)-n1nccn1
Show InChI InChI=1S/C22H16ClF3N6O3/c1-12-10-17(32-27-7-8-28-32)14(11-15(12)23)21(33)31-9-6-16(31)19-29-20(35-30-19)13-4-2-3-5-18(13)34-22(24,25)26/h2-5,7-8,10-11,16H,6,9H2,1H3/t16-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240169
PNG
(US9403813, 74)
Show SMILES COc1cc(C(=O)N2CC[C@H]2c2nc(no2)-c2cccc(Cl)c2C)c(cc1Cl)-n1nccn1
Show InChI InChI=1S/C22H18Cl2N6O3/c1-12-13(4-3-5-15(12)23)20-27-21(33-28-20)17-6-9-29(17)22(31)14-10-19(32-2)16(24)11-18(14)30-25-7-8-26-30/h3-5,7-8,10-11,17H,6,9H2,1-2H3/t17-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240154
PNG
(US9403813, 59)
Show SMILES CN(C)c1nc(C(=O)N2CC[C@H]2c2nc(no2)-c2cccc(Cl)c2C)c(s1)-c1ccccc1
Show InChI InChI=1S/C24H22ClN5O2S/c1-14-16(10-7-11-17(14)25)21-27-22(32-28-21)18-12-13-30(18)23(31)19-20(15-8-5-4-6-9-15)33-24(26-19)29(2)3/h4-11,18H,12-13H2,1-3H3/t18-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240188
PNG
(US9403813, 93)
Show SMILES Cc1ccc(c(c1)C(=O)N1CC[C@H]1c1noc(n1)-c1cccc(F)c1C)-n1nccn1
Show InChI InChI=1S/C22H19FN6O2/c1-13-6-7-18(29-24-9-10-25-29)16(12-13)22(30)28-11-8-19(28)20-26-21(31-27-20)15-4-3-5-17(23)14(15)2/h3-7,9-10,12,19H,8,11H2,1-2H3/t19-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240196
PNG
(US9403813, 101)
Show SMILES Cc1ccc(c(c1)C(=O)N1CC[C@H]1c1noc(n1)-c1cccc(Cl)c1C)-n1nccn1
Show InChI InChI=1S/C22H19ClN6O2/c1-13-6-7-18(29-24-9-10-25-29)16(12-13)22(30)28-11-8-19(28)20-26-21(31-27-20)15-4-3-5-17(23)14(15)2/h3-7,9-10,12,19H,8,11H2,1-2H3/t19-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240098
PNG
(US9403813, 2)
Show SMILES Cc1ccc(c(c1)C(=O)N1CC[C@H]1c1nc(no1)-c1cccc(F)c1C)-n1nccn1
Show InChI InChI=1S/C22H19FN6O2/c1-13-6-7-18(29-24-9-10-25-29)16(12-13)22(30)28-11-8-19(28)21-26-20(27-31-21)15-4-3-5-17(23)14(15)2/h3-7,9-10,12,19H,8,11H2,1-2H3/t19-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240113
PNG
(US9403813, 17)
Show SMILES COc1cc(C(=O)N2CC[C@H]2c2nc(no2)-c2cccc(F)c2OC)c(cc1C)-n1nccn1
Show InChI InChI=1S/C23H21FN6O4/c1-13-11-18(30-25-8-9-26-30)15(12-19(13)32-2)23(31)29-10-7-17(29)22-27-21(28-34-22)14-5-4-6-16(24)20(14)33-3/h4-6,8-9,11-12,17H,7,10H2,1-3H3/t17-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240115
PNG
(US9403813, 19)
Show SMILES COc1c(F)cccc1-c1noc(n1)[C@@H]1CCN1C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C22H19FN6O3/c1-13-6-7-14(18(12-13)29-24-9-10-25-29)22(30)28-11-8-17(28)21-26-20(27-32-21)15-4-3-5-16(23)19(15)31-2/h3-7,9-10,12,17H,8,11H2,1-2H3/t17-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240222
PNG
(US9403813, 128)
Show SMILES Cc1cc(C(=O)N2CC[C@H]2c2nnc([nH]2)-c2ccccc2OC(F)(F)F)c(cc1C)-n1nccn1
Show InChI InChI=1S/C23H20F3N7O2/c1-13-11-16(18(12-14(13)2)33-27-8-9-28-33)22(34)32-10-7-17(32)21-29-20(30-31-21)15-5-3-4-6-19(15)35-23(24,25)26/h3-6,8-9,11-12,17H,7,10H2,1-2H3,(H,29,30,31)/t17-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240201
PNG
(US9403813, 106)
Show SMILES Cc1ccc(C(=O)N2CC[C@H]2c2noc(n2)-c2cccc(Cl)c2C)c(c1)-n1nccn1
Show InChI InChI=1S/C22H19ClN6O2/c1-13-6-7-16(19(12-13)29-24-9-10-25-29)22(30)28-11-8-18(28)20-26-21(31-27-20)15-4-3-5-17(23)14(15)2/h3-7,9-10,12,18H,8,11H2,1-2H3/t18-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240192
PNG
(US9403813, 97)
Show SMILES CCOc1ncccc1-c1nc(no1)[C@@H]1CCN1C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C22H21N7O3/c1-3-31-20-16(5-4-9-23-20)21-26-19(27-32-21)17-8-12-28(17)22(30)15-7-6-14(2)13-18(15)29-24-10-11-25-29/h4-7,9-11,13,17H,3,8,12H2,1-2H3/t17-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240149
PNG
(US9403813, 54)
Show SMILES FC(F)(F)Oc1ccccc1-c1noc(n1)[C@@H]1CCN1C(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C25H18F3N3O3/c26-25(27,28)33-21-13-7-6-12-19(21)22-29-23(34-30-22)20-14-15-31(20)24(32)18-11-5-4-10-17(18)16-8-2-1-3-9-16/h1-13,20H,14-15H2/t20-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240103
PNG
(US9403813, 7)
Show SMILES Cc1ccc(c(c1)C(=O)N1CC[C@H]1c1nc(no1)-c1cccc(Cl)c1C)-n1nccn1
Show InChI InChI=1S/C22H19ClN6O2/c1-13-6-7-18(29-24-9-10-25-29)16(12-13)22(30)28-11-8-19(28)21-26-20(27-31-21)15-4-3-5-17(23)14(15)2/h3-7,9-10,12,19H,8,11H2,1-2H3/t19-/m0/s1
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ACTELION 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 (...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM240136
PNG
(US9403813, 41)
Show SMILES CN(C)c1nc(C(=O)N2CC[C@H]2c2nc(no2)-c2ccccc2OC(F)(F)F)c(s1)-c1ccccc1
Show InChI InChI=1S/C24H20F3N5O3S/c1-31(2)23-28-18(19(36-23)14-8-4-3-5-9-14)22(33)32-13-12-16(32)21-29-20(30-35-21)15-10-6-7-11-17(15)34-24(25,26)27/h3-11,16H,12-13H2,1-2H3/t16-/m0/s1
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ACTELION 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 (...


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