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Patent code US9493446

Compile Data Set for Download or QSAR

Found 1134 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))
BDBM257871
PNG
(US9493446, 340)
Show SMILES COc1c(F)cccc1-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(C)c(C)cc1-n1nccn1
Show InChI InChI=1S/C24H23FN6O3/c1-14-12-17(20(13-15(14)2)31-26-9-10-27-31)24(32)30-11-5-8-19(30)22-28-23(34-29-22)16-6-4-7-18(25)21(16)33-3/h4,6-7,9-10,12-13,19H,5,8,11H2,1-3H3/t19-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257862
PNG
(US9493446, 331)
Show SMILES CCOc1ncccc1-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(C)c(C)cc1-n1nccn1
Show InChI InChI=1S/C24H25N7O3/c1-4-33-22-17(7-5-9-25-22)23-28-21(29-34-23)19-8-6-12-30(19)24(32)18-13-15(2)16(3)14-20(18)31-26-10-11-27-31/h5,7,9-11,13-14,19H,4,6,8,12H2,1-3H3/t19-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257891
PNG
(US9493446, 360)
Show SMILES COc1c(Cl)cccc1-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(C)c(C)cc1-n1nccn1
Show InChI InChI=1S/C24H23ClN6O3/c1-14-12-17(20(13-15(14)2)31-26-9-10-27-31)24(32)30-11-5-8-19(30)22-28-23(34-29-22)16-6-4-7-18(25)21(16)33-3/h4,6-7,9-10,12-13,19H,5,8,11H2,1-3H3/t19-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257964
PNG
(US9493446, 433)
Show SMILES COc1cc(C(=O)N2CCC[C@H]2c2cc(on2)-c2cccc(Cl)c2C)c(cc1C)-n1nccn1
Show InChI InChI=1S/C25H24ClN5O3/c1-15-12-22(31-27-9-10-28-31)18(13-23(15)33-3)25(32)30-11-5-8-21(30)20-14-24(34-29-20)17-6-4-7-19(26)16(17)2/h4,6-7,9-10,12-14,21H,5,8,11H2,1-3H3/t21-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257878
PNG
(US9493446, 347)
Show SMILES COc1cc(C(=O)N2CCC[C@H]2c2noc(n2)-c2cccc(Cl)c2OC)c(cc1Cl)-n1nccn1
Show InChI InChI=1S/C23H20Cl2N6O4/c1-33-19-11-14(18(12-16(19)25)31-26-8-9-27-31)23(32)30-10-4-7-17(30)21-28-22(35-29-21)13-5-3-6-15(24)20(13)34-2/h3,5-6,8-9,11-12,17H,4,7,10H2,1-2H3/t17-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM257862
PNG
(US9493446, 331)
Show SMILES CCOc1ncccc1-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(C)c(C)cc1-n1nccn1
Show InChI InChI=1S/C24H25N7O3/c1-4-33-22-17(7-5-9-25-22)23-28-21(29-34-23)19-8-6-12-30(19)24(32)18-13-15(2)16(3)14-20(18)31-26-10-11-27-31/h5,7,9-11,13-14,19H,4,6,8,12H2,1-3H3/t19-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257879
PNG
(US9493446, 348)
Show SMILES COc1cc(C(=O)N2CCC[C@H]2c2noc(n2)-c2cccc(Cl)c2OC)c(cc1C)-n1nccn1
Show InChI InChI=1S/C24H23ClN6O4/c1-14-12-19(31-26-9-10-27-31)16(13-20(14)33-2)24(32)30-11-5-8-18(30)22-28-23(35-29-22)15-6-4-7-17(25)21(15)34-3/h4,6-7,9-10,12-13,18H,5,8,11H2,1-3H3/t18-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257813
PNG
(US9493446, 282)
Show SMILES COc1cc(C(=O)N2CCC[C@H]2c2nc(no2)-c2cccc(F)c2OC)c(cc1Cl)-n1nccn1
Show InChI InChI=1S/C23H20ClFN6O4/c1-33-19-11-14(18(12-15(19)24)31-26-8-9-27-31)23(32)30-10-4-7-17(30)22-28-21(29-35-22)13-5-3-6-16(25)20(13)34-2/h3,5-6,8-9,11-12,17H,4,7,10H2,1-2H3/t17-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257840
PNG
(US9493446, 309)
Show SMILES CCOc1ccccc1-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(OC)c(C)cc1-n1nccn1
Show InChI InChI=1S/C25H26N6O4/c1-4-34-21-10-6-5-8-17(21)24-28-23(29-35-24)19-9-7-13-30(19)25(32)18-15-22(33-3)16(2)14-20(18)31-26-11-12-27-31/h5-6,8,10-12,14-15,19H,4,7,9,13H2,1-3H3/t19-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257872
PNG
(US9493446, 341)
Show SMILES COc1cc(C(=O)N2CCC[C@H]2c2noc(n2)-c2cccc(F)c2OC)c(cc1C)-n1nccn1
Show InChI InChI=1S/C24H23FN6O4/c1-14-12-19(31-26-9-10-27-31)16(13-20(14)33-2)24(32)30-11-5-8-18(30)22-28-23(35-29-22)15-6-4-7-17(25)21(15)34-3/h4,6-7,9-10,12-13,18H,5,8,11H2,1-3H3/t18-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257901
PNG
(US9493446, 370)
Show SMILES CCOc1ncccc1-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(OC)c(Cl)cc1-n1nccn1
Show InChI InChI=1S/C23H22ClN7O4/c1-3-34-21-14(6-4-8-25-21)22-28-20(29-35-22)17-7-5-11-30(17)23(32)15-12-19(33-2)16(24)13-18(15)31-26-9-10-27-31/h4,6,8-10,12-13,17H,3,5,7,11H2,1-2H3/t17-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM258049
PNG
(US9493446, 518)
Show SMILES CCOc1ccccc1-c1cnc([nH]1)[C@@H]1CCCN1C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C25H26N6O2/c1-3-33-23-9-5-4-7-18(23)20-16-26-24(29-20)21-8-6-14-30(21)25(32)19-11-10-17(2)15-22(19)31-27-12-13-28-31/h4-5,7,9-13,15-16,21H,3,6,8,14H2,1-2H3,(H,26,29)/t21-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257788
PNG
(US9493446, 257)
Show SMILES CCOc1ccccc1-c1noc(n1)[C@@H]1CCCN1C(=O)c1cc(C)c(C)cc1-n1nccn1
Show InChI InChI=1S/C25H26N6O3/c1-4-33-22-10-6-5-8-18(22)23-28-24(34-29-23)20-9-7-13-30(20)25(32)19-14-16(2)17(3)15-21(19)31-26-11-12-27-31/h5-6,8,10-12,14-15,20H,4,7,9,13H2,1-3H3/t20-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257851
PNG
(US9493446, 320)
Show SMILES COc1cc(C(=O)N2CCC[C@H]2c2noc(n2)-c2cccc(Cl)c2C)c(cc1C)-n1nccn1
Show InChI InChI=1S/C24H23ClN6O3/c1-14-12-20(31-26-9-10-27-31)17(13-21(14)33-3)24(32)30-11-5-8-19(30)22-28-23(34-29-22)16-6-4-7-18(25)15(16)2/h4,6-7,9-10,12-13,19H,5,8,11H2,1-3H3/t19-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257854
PNG
(US9493446, 323)
Show SMILES CCOc1c(F)cccc1-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(OC)c(C)cc1-n1nccn1
Show InChI InChI=1S/C25H25FN6O4/c1-4-35-22-16(7-5-8-18(22)26)24-29-23(30-36-24)19-9-6-12-31(19)25(33)17-14-21(34-3)15(2)13-20(17)32-27-10-11-28-32/h5,7-8,10-11,13-14,19H,4,6,9,12H2,1-3H3/t19-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257899
PNG
(US9493446, 368)
Show SMILES COc1cc(C(=O)N2CCC[C@H]2c2noc(n2)-c2cccc(F)c2OC)c(cc1Cl)-n1nccn1
Show InChI InChI=1S/C23H20ClFN6O4/c1-33-19-11-14(18(12-15(19)24)31-26-8-9-27-31)23(32)30-10-4-7-17(30)21-28-22(35-29-21)13-5-3-6-16(25)20(13)34-2/h3,5-6,8-9,11-12,17H,4,7,10H2,1-2H3/t17-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257936
PNG
(US9493446, 405)
Show SMILES COc1cc(C(=O)N2CCC[C@H]2c2noc(n2)-c2cc(C)ccc2C)c(cc1C)-n1nccn1
Show InChI InChI=1S/C25H26N6O3/c1-15-7-8-16(2)18(12-15)24-28-23(29-34-24)20-6-5-11-30(20)25(32)19-14-22(33-4)17(3)13-21(19)31-26-9-10-27-31/h7-10,12-14,20H,5-6,11H2,1-4H3/t20-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM258022
PNG
(US9493446, 491)
Show SMILES COc1cc(C(=O)N2CCC[C@H]2c2nnc([nH]2)-c2cccc(Cl)c2OC)c(cc1Cl)-n1nccn1
Show InChI InChI=1S/C23H21Cl2N7O3/c1-34-19-11-14(18(12-16(19)25)32-26-8-9-27-32)23(33)31-10-4-7-17(31)22-28-21(29-30-22)13-5-3-6-15(24)20(13)35-2/h3,5-6,8-9,11-12,17H,4,7,10H2,1-2H3,(H,28,29,30)/t17-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257852
PNG
(US9493446, 321)
Show SMILES Cc1cc(C(=O)N2CCC[C@H]2c2noc(n2)-c2cccc(Cl)c2C)c(cc1C)-n1nccn1
Show InChI InChI=1S/C24H23ClN6O2/c1-14-12-18(21(13-15(14)2)31-26-9-10-27-31)24(32)30-11-5-8-20(30)22-28-23(33-29-22)17-6-4-7-19(25)16(17)3/h4,6-7,9-10,12-13,20H,5,8,11H2,1-3H3/t20-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257855
PNG
(US9493446, 324)
Show SMILES CCOc1c(F)cccc1-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(C)c(C)cc1-n1nccn1
Show InChI InChI=1S/C25H25FN6O3/c1-4-34-22-17(7-5-8-19(22)26)24-29-23(30-35-24)20-9-6-12-31(20)25(33)18-13-15(2)16(3)14-21(18)32-27-10-11-28-32/h5,7-8,10-11,13-14,20H,4,6,9,12H2,1-3H3/t20-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257911
PNG
(US9493446, 380)
Show SMILES CCOc1ncccc1-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(Cl)c(C)cc1-n1nccn1
Show InChI InChI=1S/C23H22ClN7O3/c1-3-33-21-15(6-4-8-25-21)22-28-20(29-34-22)18-7-5-11-30(18)23(32)16-13-17(24)14(2)12-19(16)31-26-9-10-27-31/h4,6,8-10,12-13,18H,3,5,7,11H2,1-2H3/t18-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257732
PNG
(US9493446, 201)
Show SMILES COc1cc(C(=O)N2CCC[C@H]2c2nc(no2)-c2cccc(F)c2OC)c(cc1C)-n1nccn1
Show InChI InChI=1S/C24H23FN6O4/c1-14-12-19(31-26-9-10-27-31)16(13-20(14)33-2)24(32)30-11-5-8-18(30)23-28-22(29-35-23)15-6-4-7-17(25)21(15)34-3/h4,6-7,9-10,12-13,18H,5,8,11H2,1-3H3/t18-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257684
PNG
(US9493446, 154)
Show SMILES COc1cc(C(=O)N2CCC[C@H]2c2nc(no2)-c2ccccc2OC(F)(F)F)c(cc1C)-n1nccn1
Show InChI InChI=1S/C24H21F3N6O4/c1-14-12-18(33-28-9-10-29-33)16(13-20(14)35-2)23(34)32-11-5-7-17(32)22-30-21(31-37-22)15-6-3-4-8-19(15)36-24(25,26)27/h3-4,6,8-10,12-13,17H,5,7,11H2,1-2H3/t17-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM258049
PNG
(US9493446, 518)
Show SMILES CCOc1ccccc1-c1cnc([nH]1)[C@@H]1CCCN1C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C25H26N6O2/c1-3-33-23-9-5-4-7-18(23)20-16-26-24(29-20)21-8-6-14-30(21)25(32)19-11-10-17(2)15-22(19)31-27-12-13-28-31/h4-5,7,9-13,15-16,21H,3,6,8,14H2,1-2H3,(H,26,29)/t21-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257837
PNG
(US9493446, 306)
Show SMILES CCOc1ccccc1-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C24H24N6O3/c1-3-32-21-9-5-4-7-17(21)23-27-22(28-33-23)20-8-6-14-29(20)24(31)18-15-16(2)10-11-19(18)30-25-12-13-26-30/h4-5,7,9-13,15,20H,3,6,8,14H2,1-2H3/t20-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257861
PNG
(US9493446, 330)
Show SMILES CCOc1ncccc1-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C23H23N7O3/c1-3-32-21-16(6-4-10-24-21)22-27-20(28-33-22)19-7-5-13-29(19)23(31)17-14-15(2)8-9-18(17)30-25-11-12-26-30/h4,6,8-12,14,19H,3,5,7,13H2,1-2H3/t19-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257870
PNG
(US9493446, 339)
Show SMILES Cc1cc(C(=O)N2CCC[C@H]2c2noc(n2)-c2cccc(F)c2C)c(cc1C)-n1nccn1
Show InChI InChI=1S/C24H23FN6O2/c1-14-12-18(21(13-15(14)2)31-26-9-10-27-31)24(32)30-11-5-8-20(30)22-28-23(33-29-22)17-6-4-7-19(25)16(17)3/h4,6-7,9-10,12-13,20H,5,8,11H2,1-3H3/t20-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257881
PNG
(US9493446, 350)
Show SMILES COc1cc(C(=O)N2CCC[C@H]2c2noc(n2)-c2cc(C)ccc2OC)c(cc1Cl)-n1nccn1
Show InChI InChI=1S/C24H23ClN6O4/c1-14-6-7-20(33-2)16(11-14)23-28-22(29-35-23)18-5-4-10-30(18)24(32)15-12-21(34-3)17(25)13-19(15)31-26-8-9-27-31/h6-9,11-13,18H,4-5,10H2,1-3H3/t18-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257937
PNG
(US9493446, 406)
Show SMILES COc1cc(C(=O)N2CCC[C@H]2c2noc(n2)-c2cccc(C)c2C)c(cc1Cl)-n1nccn1
Show InChI InChI=1S/C24H23ClN6O3/c1-14-6-4-7-16(15(14)2)23-28-22(29-34-23)19-8-5-11-30(19)24(32)17-12-21(33-3)18(25)13-20(17)31-26-9-10-27-31/h4,6-7,9-10,12-13,19H,5,8,11H2,1-3H3/t19-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257939
PNG
(US9493446, 408)
Show SMILES COc1cc(C(=O)N2CCC[C@H]2c2noc(n2)-c2cc(C)ccc2C)c(cc1Cl)-n1nccn1
Show InChI InChI=1S/C24H23ClN6O3/c1-14-6-7-15(2)16(11-14)23-28-22(29-34-23)19-5-4-10-30(19)24(32)17-12-21(33-3)18(25)13-20(17)31-26-8-9-27-31/h6-9,11-13,19H,4-5,10H2,1-3H3/t19-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257841
PNG
(US9493446, 310)
Show SMILES COc1cc(C(=O)N2CCC[C@H]2c2noc(n2)-c2cccc(F)c2C)c(cc1C)-n1nccn1
Show InChI InChI=1S/C24H23FN6O3/c1-14-12-20(31-26-9-10-27-31)17(13-21(14)33-3)24(32)30-11-5-8-19(30)22-28-23(34-29-22)16-6-4-7-18(25)15(16)2/h4,6-7,9-10,12-13,19H,5,8,11H2,1-3H3/t19-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257877
PNG
(US9493446, 346)
Show SMILES CCOc1ncccc1-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1-n1nccn1
Show InChI InChI=1S/C22H20ClN7O3/c1-2-32-20-15(5-3-9-24-20)21-27-19(28-33-21)18-6-4-12-29(18)22(31)16-13-14(23)7-8-17(16)30-25-10-11-26-30/h3,5,7-11,13,18H,2,4,6,12H2,1H3/t18-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257962
PNG
(US9493446, 431)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@H]1c1cc(on1)-c1cccc(Cl)c1C)-n1nccn1
Show InChI InChI=1S/C24H22ClN5O2/c1-15-8-9-21(30-26-10-11-27-30)18(13-15)24(31)29-12-4-7-22(29)20-14-23(32-28-20)17-5-3-6-19(25)16(17)2/h3,5-6,8-11,13-14,22H,4,7,12H2,1-2H3/t22-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM258060
PNG
(US9493446, 529)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccccc1OC(F)(F)F)-n1nccn1
Show InChI InChI=1S/C24H21F3N6O2/c1-15-8-9-19(33-29-10-11-30-33)17(13-15)23(34)32-12-4-6-20(32)22-28-14-18(31-22)16-5-2-3-7-21(16)35-24(25,26)27/h2-3,5,7-11,13-14,20H,4,6,12H2,1H3,(H,28,31)/t20-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257850
PNG
(US9493446, 319)
Show SMILES CCOc1c(F)cccc1-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C24H23FN6O3/c1-3-33-21-16(6-4-7-18(21)25)23-28-22(29-34-23)20-8-5-13-30(20)24(32)17-14-15(2)9-10-19(17)31-26-11-12-27-31/h4,6-7,9-12,14,20H,3,5,8,13H2,1-2H3/t20-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257633
PNG
(US9493446, 103)
Show SMILES COc1cc(C(=O)N2CCC[C@H]2c2nc(no2)-c2cccc(Cl)c2C)c(cc1C)-n1nccn1
Show InChI InChI=1S/C24H23ClN6O3/c1-14-12-20(31-26-9-10-27-31)17(13-21(14)33-3)24(32)30-11-5-8-19(30)23-28-22(29-34-23)16-6-4-7-18(25)15(16)2/h4,6-7,9-10,12-13,19H,5,8,11H2,1-3H3/t19-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257915
PNG
(US9493446, 384)
Show SMILES COc1ccc(C)cc1-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(C)c(C)cc1-n1nccn1
Show InChI InChI=1S/C25H26N6O3/c1-15-7-8-22(33-4)19(12-15)24-28-23(29-34-24)20-6-5-11-30(20)25(32)18-13-16(2)17(3)14-21(18)31-26-9-10-27-31/h7-10,12-14,20H,5-6,11H2,1-4H3/t20-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM258006
PNG
(US9493446, 475)
Show SMILES COc1c(F)cccc1-c1nnc([nH]1)[C@@H]1CCCN1C(=O)c1cc(Cl)c(C)cc1-n1nccn1
Show InChI InChI=1S/C23H21ClFN7O2/c1-13-11-19(32-26-8-9-27-32)15(12-16(13)24)23(33)31-10-4-7-18(31)22-28-21(29-30-22)14-5-3-6-17(25)20(14)34-2/h3,5-6,8-9,11-12,18H,4,7,10H2,1-2H3,(H,28,29,30)/t18-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM258031
PNG
(US9493446, 500)
Show SMILES Cc1cc(c(cc1Cl)C(=O)N1CCC[C@H]1c1nnc([nH]1)-c1ccccc1OC(F)(F)F)-n1nccn1
Show InChI InChI=1S/C23H19ClF3N7O2/c1-13-11-18(34-28-8-9-29-34)15(12-16(13)24)22(35)33-10-4-6-17(33)21-30-20(31-32-21)14-5-2-3-7-19(14)36-23(25,26)27/h2-3,5,7-9,11-12,17H,4,6,10H2,1H3,(H,30,31,32)/t17-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257900
PNG
(US9493446, 369)
Show SMILES CCOc1c(F)cccc1-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(OC)c(Cl)cc1-n1nccn1
Show InChI InChI=1S/C24H22ClFN6O4/c1-3-35-21-14(6-4-7-17(21)26)23-29-22(30-36-23)18-8-5-11-31(18)24(33)15-12-20(34-2)16(25)13-19(15)32-27-9-10-28-32/h4,6-7,9-10,12-13,18H,3,5,8,11H2,1-2H3/t18-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257934
PNG
(US9493446, 403)
Show SMILES COc1cc(C(=O)N2CCC[C@H]2c2noc(n2)-c2cccc(C)c2C)c(cc1C)-n1nccn1
Show InChI InChI=1S/C25H26N6O3/c1-15-7-5-8-18(17(15)3)24-28-23(29-34-24)20-9-6-12-30(20)25(32)19-14-22(33-4)16(2)13-21(19)31-26-10-11-27-31/h5,7-8,10-11,13-14,20H,6,9,12H2,1-4H3/t20-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM258021
PNG
(US9493446, 490)
Show SMILES COc1cc(C(=O)N2CCC[C@H]2c2nnc([nH]2)-c2cccc(Cl)c2OC)c(cc1C)-n1nccn1
Show InChI InChI=1S/C24H24ClN7O3/c1-14-12-19(32-26-9-10-27-32)16(13-20(14)34-2)24(33)31-11-5-8-18(31)23-28-22(29-30-23)15-6-4-7-17(25)21(15)35-3/h4,6-7,9-10,12-13,18H,5,8,11H2,1-3H3,(H,28,29,30)/t18-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM258029
PNG
(US9493446, 498)
Show SMILES Cc1cc(C(=O)N2CCC[C@H]2c2nnc([nH]2)-c2ccccc2OC(F)(F)F)c(cc1C)-n1nccn1
Show InChI InChI=1S/C24H22F3N7O2/c1-14-12-17(19(13-15(14)2)34-28-9-10-29-34)23(35)33-11-5-7-18(33)22-30-21(31-32-22)16-6-3-4-8-20(16)36-24(25,26)27/h3-4,6,8-10,12-13,18H,5,7,11H2,1-2H3,(H,30,31,32)/t18-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM258048
PNG
(US9493446, 517)
Show SMILES Cc1ccc(C(=O)N2CCC[C@H]2c2ncc([nH]2)-c2ccccc2OC(F)(F)F)c(c1)-n1nccn1
Show InChI InChI=1S/C24H21F3N6O2/c1-15-8-9-17(20(13-15)33-29-10-11-30-33)23(34)32-12-4-6-19(32)22-28-14-18(31-22)16-5-2-3-7-21(16)35-24(25,26)27/h2-3,5,7-11,13-14,19H,4,6,12H2,1H3,(H,28,31)/t19-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257727
PNG
(US9493446, 196)
Show SMILES COc1c(F)cccc1-c1noc(n1)[C@@H]1CCCN1C(=O)c1cc(C)c(C)cc1-n1nccn1
Show InChI InChI=1S/C24H23FN6O3/c1-14-12-17(20(13-15(14)2)31-26-9-10-27-31)24(32)30-11-5-8-19(30)23-28-22(29-34-23)16-6-4-7-18(25)21(16)33-3/h4,6-7,9-10,12-13,19H,5,8,11H2,1-3H3/t19-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257898
PNG
(US9493446, 367)
Show SMILES COc1cc(C(=O)N2CCC[C@H]2c2noc(n2)-c2cccc(Cl)c2C)c(cc1Cl)-n1nccn1
Show InChI InChI=1S/C23H20Cl2N6O3/c1-13-14(5-3-6-16(13)24)22-28-21(29-34-22)18-7-4-10-30(18)23(32)15-11-20(33-2)17(25)12-19(15)31-26-8-9-27-31/h3,5-6,8-9,11-12,18H,4,7,10H2,1-2H3/t18-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM258003
PNG
(US9493446, 472)
Show SMILES COc1cc(C(=O)N2CCC[C@H]2c2nnc([nH]2)-c2cccc(F)c2OC)c(cc1Cl)-n1nccn1
Show InChI InChI=1S/C23H21ClFN7O3/c1-34-19-11-14(18(12-15(19)24)32-26-8-9-27-32)23(33)31-10-4-7-17(31)22-28-21(29-30-22)13-5-3-6-16(25)20(13)35-2/h3,5-6,8-9,11-12,17H,4,7,10H2,1-2H3,(H,28,29,30)/t17-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257909
PNG
(US9493446, 378)
Show SMILES COc1c(F)cccc1-c1nc(no1)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1-n1nccn1
Show InChI InChI=1S/C22H18ClFN6O3/c1-32-19-15(4-2-5-16(19)24)21-27-20(28-33-21)17-6-3-11-29(17)22(31)14-8-7-13(23)12-18(14)30-25-9-10-26-30/h2,4-5,7-10,12,17H,3,6,11H2,1H3/t17-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257933
PNG
(US9493446, 402)
Show SMILES Cc1ccc(C)c(c1)-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(C)c(C)cc1-n1nccn1
Show InChI InChI=1S/C25H26N6O2/c1-15-7-8-16(2)19(12-15)24-28-23(29-33-24)21-6-5-11-30(21)25(32)20-13-17(3)18(4)14-22(20)31-26-9-10-27-31/h7-10,12-14,21H,5-6,11H2,1-4H3/t21-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


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


(Homo sapiens (Human))
BDBM257779
PNG
(US9493446, 248)
Show SMILES COc1cc(C(=O)N2CCC[C@H]2c2nc(no2)-c2cccc(F)c2C)c(cc1C)-n1nccn1
Show InChI InChI=1S/C24H23FN6O3/c1-14-12-20(31-26-9-10-27-31)17(13-21(14)33-3)24(32)30-11-5-8-19(30)23-28-22(29-34-23)16-6-4-7-18(25)15(16)2/h4,6-7,9-10,12-13,19H,5,8,11H2,1-3H3/t19-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...


Citation and Details
More data for this
Ligand-Target Pair
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