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Patent code US9914721

Compile Data Set for Download or QSAR
Found 22 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))
BDBM334973
PNG
(US9732075, Example 5.36 | US9914721, Ex. 7 | [(S)-...)
Show SMILES COc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2c(C)c(Cl)ccc2[nH]1)-n1nccn1
Show InChI InChI=1S/C23H23ClN6O2/c1-14-17(24)6-7-18-20(14)28-22(27-18)23(2)9-4-12-29(23)21(31)16-13-15(32-3)5-8-19(16)30-25-10-11-26-30/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,27,28)/t23-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



IDORSIA 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...


US Patent US9914721 (2018)

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


(Homo sapiens (Human))
BDBM334960
PNG
(US9732075, Example 5.24 | US9914721, Ex. 6 | [(S)-...)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2cc(c(Cl)cc2[nH]1)C(F)(F)F)-n1nccn1
Show InChI InChI=1S/C23H20ClF3N6O/c1-13-4-5-19(33-28-7-8-29-33)14(10-13)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 2n/an/an/an/an/an/a



IDORSIA 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...


US Patent US9914721 (2018)

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


(Homo sapiens (Human))
BDBM334955
PNG
(US9732075, Example 5.214 | US9914721, Ex. 10 | [(S...)
Show SMILES Cc1ccc(-c2ncccn2)c(c1)C(=O)N1CCC[C@@]1(C)c1nc2c(C)c(Cl)ccc2[nH]1
Show InChI InChI=1S/C25H24ClN5O/c1-15-6-7-17(22-27-11-5-12-28-22)18(14-15)23(32)31-13-4-10-25(31,3)24-29-20-9-8-19(26)16(2)21(20)30-24/h5-9,11-12,14H,4,10,13H2,1-3H3,(H,29,30)/t25-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



IDORSIA 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...


US Patent US9914721 (2018)

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


(Homo sapiens (Human))
BDBM334973
PNG
(US9732075, Example 5.36 | US9914721, Ex. 7 | [(S)-...)
Show SMILES COc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2c(C)c(Cl)ccc2[nH]1)-n1nccn1
Show InChI InChI=1S/C23H23ClN6O2/c1-14-17(24)6-7-18-20(14)28-22(27-18)23(2)9-4-12-29(23)21(31)16-13-15(32-3)5-8-19(16)30-25-10-11-26-30/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,27,28)/t23-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



IDORSIA 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...


US Patent US9914721 (2018)

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


(Homo sapiens (Human))
BDBM334955
PNG
(US9732075, Example 5.214 | US9914721, Ex. 10 | [(S...)
Show SMILES Cc1ccc(-c2ncccn2)c(c1)C(=O)N1CCC[C@@]1(C)c1nc2c(C)c(Cl)ccc2[nH]1
Show InChI InChI=1S/C25H24ClN5O/c1-15-6-7-17(22-27-11-5-12-28-22)18(14-15)23(32)31-13-4-10-25(31,3)24-29-20-9-8-19(26)16(2)21(20)30-24/h5-9,11-12,14H,4,10,13H2,1-3H3,(H,29,30)/t25-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



IDORSIA 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...


US Patent US9914721 (2018)

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


(Homo sapiens (Human))
BDBM335102
PNG
(US9732075, Example 5.277 | US9914721, Ex. 11 | [(S...)
Show SMILES Cc1ccc(-c2ncccn2)c(c1)C(=O)N1CCC[C@@]1(C)c1nc2cc(Br)cc(C)c2[nH]1
Show InChI InChI=1S/C25H24BrN5O/c1-15-6-7-18(22-27-9-5-10-28-22)19(12-15)23(32)31-11-4-8-25(31,3)24-29-20-14-17(26)13-16(2)21(20)30-24/h5-7,9-10,12-14H,4,8,11H2,1-3H3,(H,29,30)/t25-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



IDORSIA 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...


US Patent US9914721 (2018)

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


(Homo sapiens (Human))
BDBM335031
PNG
((5-Methyl-2-[1,2,3]triazol-2-yl-phenyl)-[(S)-2-met...)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2cc(ccc2[nH]1)C(F)(F)F)-n1nccn1
Show InChI InChI=1S/C23H21F3N6O/c1-14-4-7-19(32-27-9-10-28-32)16(12-14)20(33)31-11-3-8-22(31,2)21-29-17-6-5-15(23(24,25)26)13-18(17)30-21/h4-7,9-10,12-13H,3,8,11H2,1-2H3,(H,29,30)/t22-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



IDORSIA 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...


US Patent US9914721 (2018)

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


(Homo sapiens (Human))
BDBM334960
PNG
(US9732075, Example 5.24 | US9914721, Ex. 6 | [(S)-...)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2cc(c(Cl)cc2[nH]1)C(F)(F)F)-n1nccn1
Show InChI InChI=1S/C23H20ClF3N6O/c1-13-4-5-19(33-28-7-8-29-33)14(10-13)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 9n/an/an/an/an/an/a



IDORSIA 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...


US Patent US9914721 (2018)

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


(Homo sapiens (Human))
BDBM334927
PNG
(US9732075, Example 5.19 | US9914721, Ex. 2 | [(S)-...)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2cc(Br)cc(C)c2[nH]1)-n1nccn1
Show InChI InChI=1S/C23H23BrN6O/c1-14-5-6-19(30-25-8-9-26-30)17(11-14)21(31)29-10-4-7-23(29,3)22-27-18-13-16(24)12-15(2)20(18)28-22/h5-6,8-9,11-13H,4,7,10H2,1-3H3,(H,27,28)/t23-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



IDORSIA 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...


US Patent US9914721 (2018)

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


(Homo sapiens (Human))
BDBM335023
PNG
(US9732075, Example 5.82 | US9914721, Ex. 9 | [(S)-...)
Show SMILES COc1cc2nc([nH]c2cc1OC)[C@]1(C)CCCN1C(=O)c1cc(C)ccc1-n1cccn1
Show InChI InChI=1S/C25H27N5O3/c1-16-7-8-20(30-12-6-10-26-30)17(13-16)23(31)29-11-5-9-25(29,2)24-27-18-14-21(32-3)22(33-4)15-19(18)28-24/h6-8,10,12-15H,5,9,11H2,1-4H3,(H,27,28)/t25-/m0/s1
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IDORSIA 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...


US Patent US9914721 (2018)

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


(Homo sapiens (Human))
BDBM334959
PNG
(US9732075, Example 5.23 | US9914721, Ex. 5 | [(S)-...)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2cc(F)c(Br)cc2[nH]1)-n1nccn1
Show InChI InChI=1S/C22H20BrFN6O/c1-13-4-5-19(30-25-7-8-26-30)14(10-13)20(31)29-9-3-6-22(29,2)21-27-17-11-15(23)16(24)12-18(17)28-21/h4-5,7-8,10-12H,3,6,9H2,1-2H3,(H,27,28)/t22-/m0/s1
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IDORSIA 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...


US Patent US9914721 (2018)

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


(Homo sapiens (Human))
BDBM334950
PNG
(US9732075, Example 5.21 | US9914721, Ex. 4 | [(S)-...)
Show SMILES COc1cc2nc([nH]c2cc1OC)[C@]1(C)CCCN1C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C24H26N6O3/c1-15-6-7-19(30-25-9-10-26-30)16(12-15)22(31)29-11-5-8-24(29,2)23-27-17-13-20(32-3)21(33-4)14-18(17)28-23/h6-7,9-10,12-14H,5,8,11H2,1-4H3,(H,27,28)/t24-/m0/s1
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IDORSIA 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...


US Patent US9914721 (2018)

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


(Homo sapiens (Human))
BDBM334939
PNG
((5-Methyl-2-[1,2,3]triazol-2-yl-phenyl)-[(S)-2-met...)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2cc(OC(F)(F)F)ccc2[nH]1)-n1nccn1
Show InChI InChI=1S/C23H21F3N6O2/c1-14-4-7-19(32-27-9-10-28-32)16(12-14)20(33)31-11-3-8-22(31,2)21-29-17-6-5-15(13-18(17)30-21)34-23(24,25)26/h4-7,9-10,12-13H,3,8,11H2,1-2H3,(H,29,30)/t22-/m0/s1
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IDORSIA 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...


US Patent US9914721 (2018)

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


(Homo sapiens (Human))
BDBM334927
PNG
(US9732075, Example 5.19 | US9914721, Ex. 2 | [(S)-...)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2cc(Br)cc(C)c2[nH]1)-n1nccn1
Show InChI InChI=1S/C23H23BrN6O/c1-14-5-6-19(30-25-8-9-26-30)17(11-14)21(31)29-10-4-7-23(29,3)22-27-18-13-16(24)12-15(2)20(18)28-22/h5-6,8-9,11-13H,4,7,10H2,1-3H3,(H,27,28)/t23-/m0/s1
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IDORSIA 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...


US Patent US9914721 (2018)

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


(Homo sapiens (Human))
BDBM335102
PNG
(US9732075, Example 5.277 | US9914721, Ex. 11 | [(S...)
Show SMILES Cc1ccc(-c2ncccn2)c(c1)C(=O)N1CCC[C@@]1(C)c1nc2cc(Br)cc(C)c2[nH]1
Show InChI InChI=1S/C25H24BrN5O/c1-15-6-7-18(22-27-9-5-10-28-22)19(12-15)23(32)31-11-4-8-25(31,3)24-29-20-14-17(26)13-16(2)21(20)30-24/h5-7,9-10,12-14H,4,8,11H2,1-3H3,(H,29,30)/t25-/m0/s1
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IDORSIA 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...


US Patent US9914721 (2018)

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


(Homo sapiens (Human))
BDBM334950
PNG
(US9732075, Example 5.21 | US9914721, Ex. 4 | [(S)-...)
Show SMILES COc1cc2nc([nH]c2cc1OC)[C@]1(C)CCCN1C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C24H26N6O3/c1-15-6-7-19(30-25-9-10-26-30)16(12-15)22(31)29-11-5-8-24(29,2)23-27-17-13-20(32-3)21(33-4)14-18(17)28-23/h6-7,9-10,12-14H,5,8,11H2,1-4H3,(H,27,28)/t24-/m0/s1
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IDORSIA 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...


US Patent US9914721 (2018)

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


(Homo sapiens (Human))
BDBM335006
PNG
(US9732075, Example 5.67 | US9914721, Ex. 8 | [(S)-...)
Show SMILES COc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2cc(OC)c(OC)cc2[nH]1)-n1nccn1
Show InChI InChI=1S/C24H26N6O4/c1-24(23-27-17-13-20(33-3)21(34-4)14-18(17)28-23)8-5-11-29(24)22(31)16-12-15(32-2)6-7-19(16)30-25-9-10-26-30/h6-7,9-10,12-14H,5,8,11H2,1-4H3,(H,27,28)/t24-/m0/s1
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IDORSIA 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...


US Patent US9914721 (2018)

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


(Homo sapiens (Human))
BDBM335023
PNG
(US9732075, Example 5.82 | US9914721, Ex. 9 | [(S)-...)
Show SMILES COc1cc2nc([nH]c2cc1OC)[C@]1(C)CCCN1C(=O)c1cc(C)ccc1-n1cccn1
Show InChI InChI=1S/C25H27N5O3/c1-16-7-8-20(30-12-6-10-26-30)17(13-16)23(31)29-11-5-9-25(29,2)24-27-18-14-21(32-3)22(33-4)15-19(18)28-24/h6-8,10,12-15H,5,9,11H2,1-4H3,(H,27,28)/t25-/m0/s1
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IDORSIA 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...


US Patent US9914721 (2018)

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


(Homo sapiens (Human))
BDBM335006
PNG
(US9732075, Example 5.67 | US9914721, Ex. 8 | [(S)-...)
Show SMILES COc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2cc(OC)c(OC)cc2[nH]1)-n1nccn1
Show InChI InChI=1S/C24H26N6O4/c1-24(23-27-17-13-20(33-3)21(34-4)14-18(17)28-23)8-5-11-29(24)22(31)16-12-15(32-2)6-7-19(16)30-25-9-10-26-30/h6-7,9-10,12-14H,5,8,11H2,1-4H3,(H,27,28)/t24-/m0/s1
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IDORSIA 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...


US Patent US9914721 (2018)

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


(Homo sapiens (Human))
BDBM334959
PNG
(US9732075, Example 5.23 | US9914721, Ex. 5 | [(S)-...)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2cc(F)c(Br)cc2[nH]1)-n1nccn1
Show InChI InChI=1S/C22H20BrFN6O/c1-13-4-5-19(30-25-7-8-26-30)14(10-13)20(31)29-9-3-6-22(29,2)21-27-17-11-15(23)16(24)12-18(17)28-21/h4-5,7-8,10-12H,3,6,9H2,1-2H3,(H,27,28)/t22-/m0/s1
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US Patent
n/an/a 80n/an/an/an/an/an/a



IDORSIA 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...


US Patent US9914721 (2018)

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


(Homo sapiens (Human))
BDBM335031
PNG
((5-Methyl-2-[1,2,3]triazol-2-yl-phenyl)-[(S)-2-met...)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2cc(ccc2[nH]1)C(F)(F)F)-n1nccn1
Show InChI InChI=1S/C23H21F3N6O/c1-14-4-7-19(32-27-9-10-28-32)16(12-14)20(33)31-11-3-8-22(31,2)21-29-17-6-5-15(23(24,25)26)13-18(17)30-21/h4-7,9-10,12-13H,3,8,11H2,1-2H3,(H,29,30)/t22-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



IDORSIA 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...


US Patent US9914721 (2018)

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


(Homo sapiens (Human))
BDBM334939
PNG
((5-Methyl-2-[1,2,3]triazol-2-yl-phenyl)-[(S)-2-met...)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2cc(OC(F)(F)F)ccc2[nH]1)-n1nccn1
Show InChI InChI=1S/C23H21F3N6O2/c1-14-4-7-19(32-27-9-10-28-32)16(12-14)20(33)31-11-3-8-22(31,2)21-29-17-6-5-15(13-18(17)30-21)34-23(24,25)26/h4-7,9-10,12-13H,3,8,11H2,1-2H3,(H,29,30)/t22-/m0/s1
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n/an/a 161n/an/an/an/an/an/a



IDORSIA 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...


US Patent US9914721 (2018)

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