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USPatent US9242970

Compile Data Set for Download or QSAR

Found 930 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))
BDBM202944
PNG
(US9242970, 91)
Show SMILES COc1cccc(OC)c1C1CCCCC(=O)N1Cc1cccc(c1)-c1csc(C)n1
Show InChI InChI=1S/C25H28N2O3S/c1-17-26-20(16-31-17)19-9-6-8-18(14-19)15-27-21(10-4-5-13-24(27)28)25-22(29-2)11-7-12-23(25)30-3/h6-9,11-12,14,16,21H,4-5,10,13,15H2,1-3H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM202918
PNG
(US9242970, 65)
Show SMILES COc1cncc(OC)c1C1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C25H24N2O4/c1-29-22-13-26-14-23(30-2)25(22)19-7-5-9-24(28)27(19)15-16-10-11-21-18(12-16)17-6-3-4-8-20(17)31-21/h3-4,6,8,10-14,19H,5,7,9,15H2,1-2H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM202953
PNG
(US9242970, 100)
Show SMILES COc1cccc(OC)c1C1CCCCC(=O)N1Cc1cccc(c1)-c1ncc(C)s1
Show InChI InChI=1S/C25H28N2O3S/c1-17-15-26-25(31-17)19-9-6-8-18(14-19)16-27-20(10-4-5-13-23(27)28)24-21(29-2)11-7-12-22(24)30-3/h6-9,11-12,14-15,20H,4-5,10,13,16H2,1-3H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM203185
PNG
(US9242970, 367)
Show SMILES COc1cccc(OC)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C25H22FNO4/c1-29-22-8-5-9-23(30-2)24(22)19-13-18(26)25(28)27(19)14-15-10-11-21-17(12-15)16-6-3-4-7-20(16)31-21/h3-12,18-19H,13-14H2,1-2H3/t18-,19-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM202943
PNG
(US9242970, 90)
Show SMILES COc1cccc(OC)c1C1CCCCC(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C27H27NO4/c1-30-24-11-7-12-25(31-2)27(24)21-9-4-6-13-26(29)28(21)17-18-14-15-23-20(16-18)19-8-3-5-10-22(19)32-23/h3,5,7-8,10-12,14-16,21H,4,6,9,13,17H2,1-2H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM202985
PNG
(US9242970, 133)
Show SMILES COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(c1)-c1csc(C)n1
Show InChI InChI=1S/C24H26N2O3S/c1-15-11-20(23-21(28-3)9-6-10-22(23)29-4)26(24(15)27)13-17-7-5-8-18(12-17)19-14-30-16(2)25-19/h5-10,12,14-15,20H,11,13H2,1-4H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447786
PNG
(CHEMBL3113770 | US9242970, 137)
Show SMILES COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C26H25NO4/c1-16-13-20(25-23(29-2)9-6-10-24(25)30-3)27(26(16)28)15-17-11-12-22-19(14-17)18-7-4-5-8-21(18)31-22/h4-12,14,16,20H,13,15H2,1-3H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447810
PNG
(CHEMBL3113746 | US9242970, 16)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(c1)-c1csc(C)n1
Show InChI InChI=1S/C24H26N2O3S/c1-16-25-19(15-30-16)18-8-4-7-17(13-18)14-26-20(9-5-12-23(26)27)24-21(28-2)10-6-11-22(24)29-3/h4,6-8,10-11,13,15,20H,5,9,12,14H2,1-3H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM203202
PNG
(US9242970, 384)
Show SMILES CCOc1cccc(F)c1C1CC(C)C(=O)N1Cc1cccc(c1)-c1ncc(C)s1
Show InChI InChI=1S/C24H25FN2O2S/c1-4-29-21-10-6-9-19(25)22(21)20-11-15(2)24(28)27(20)14-17-7-5-8-18(12-17)23-26-13-16(3)30-23/h5-10,12-13,15,20H,4,11,14H2,1-3H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM203198
PNG
(US9242970, 380)
Show SMILES CCOc1cccc(F)c1C1CC(C)C(=O)N1Cc1ccnc(c1)-c1ncc(C)s1
Show InChI InChI=1S/C23H24FN3O2S/c1-4-29-20-7-5-6-17(24)21(20)19-10-14(2)23(28)27(19)13-16-8-9-25-18(11-16)22-26-12-15(3)30-22/h5-9,11-12,14,19H,4,10,13H2,1-3H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM203187
PNG
(US9242970, 369)
Show SMILES COc1cccc(OC)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C25H22ClNO4/c1-29-22-8-5-9-23(30-2)24(22)19-13-18(26)25(28)27(19)14-15-10-11-21-17(12-15)16-6-3-4-7-20(16)31-21/h3-12,18-19H,13-14H2,1-2H3/t18-,19-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM203223
PNG
(US9242970, 406)
Show SMILES COc1cccc(F)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C24H19F2NO3/c1-29-22-8-4-6-17(25)23(22)19-12-18(26)24(28)27(19)13-14-9-10-21-16(11-14)15-5-2-3-7-20(15)30-21/h2-11,18-19H,12-13H2,1H3/t18-,19-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM203203
PNG
(US9242970, 385)
Show SMILES CCOc1cccc(F)c1C1CC(C)C(=O)N1Cc1cccc(c1)-c1nc(Cl)cs1
Show InChI InChI=1S/C23H22ClFN2O2S/c1-3-29-19-9-5-8-17(25)21(19)18-10-14(2)23(28)27(18)12-15-6-4-7-16(11-15)22-26-20(24)13-30-22/h4-9,11,13-14,18H,3,10,12H2,1-2H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM203200
PNG
(US9242970, 382)
Show SMILES CCOc1cccc(F)c1C1CC(C)C(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C26H24FNO3/c1-3-30-24-10-6-8-20(27)25(24)21-13-16(2)26(29)28(21)15-17-11-12-23-19(14-17)18-7-4-5-9-22(18)31-23/h4-12,14,16,21H,3,13,15H2,1-2H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447814
PNG
(CHEMBL3113742 | US9242970, 30)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C26H25NO4/c1-29-23-10-6-11-24(30-2)26(23)20-8-5-12-25(28)27(20)16-17-13-14-22-19(15-17)18-7-3-4-9-21(18)31-22/h3-4,6-7,9-11,13-15,20H,5,8,12,16H2,1-2H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM203204
PNG
(US9242970, 386)
Show SMILES CCOc1cccc(F)c1C1CC(C)C(=O)N1Cc1ccnc(c1)-c1nc(C)cs1
Show InChI InChI=1S/C23H24FN3O2S/c1-4-29-20-7-5-6-17(24)21(20)19-10-14(2)23(28)27(19)12-16-8-9-25-18(11-16)22-26-15(3)13-30-22/h5-9,11,13-14,19H,4,10,12H2,1-3H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM202938
PNG
(US9242970, 85)
Show SMILES COc1cccc(OC)c1C1CCCCC(=O)N1Cc1cccc(c1)-c1nccs1
Show InChI InChI=1S/C24H26N2O3S/c1-28-20-10-6-11-21(29-2)23(20)19-9-3-4-12-22(27)26(19)16-17-7-5-8-18(15-17)24-25-13-14-30-24/h5-8,10-11,13-15,19H,3-4,9,12,16H2,1-2H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM202936
PNG
(US9242970, 83)
Show SMILES COc1cccc(OC)c1C1CCCCC(=O)N1Cc1cccc(c1)-c1ncccn1
Show InChI InChI=1S/C25H27N3O3/c1-30-21-11-6-12-22(31-2)24(21)20-10-3-4-13-23(29)28(20)17-18-8-5-9-19(16-18)25-26-14-7-15-27-25/h5-9,11-12,14-16,20H,3-4,10,13,17H2,1-2H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM203185
PNG
(US9242970, 367)
Show SMILES COc1cccc(OC)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C25H22FNO4/c1-29-22-8-5-9-23(30-2)24(22)19-13-18(26)25(28)27(19)14-15-10-11-21-17(12-15)16-6-3-4-7-20(16)31-21/h3-12,18-19H,13-14H2,1-2H3/t18-,19-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM202943
PNG
(US9242970, 90)
Show SMILES COc1cccc(OC)c1C1CCCCC(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C27H27NO4/c1-30-24-11-7-12-25(31-2)27(24)21-9-4-6-13-26(29)28(21)17-18-14-15-23-20(16-18)19-8-3-5-10-22(19)32-23/h3,5,7-8,10-12,14-16,21H,4,6,9,13,17H2,1-2H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM202944
PNG
(US9242970, 91)
Show SMILES COc1cccc(OC)c1C1CCCCC(=O)N1Cc1cccc(c1)-c1csc(C)n1
Show InChI InChI=1S/C25H28N2O3S/c1-17-26-20(16-31-17)19-9-6-8-18(14-19)15-27-21(10-4-5-13-24(27)28)25-22(29-2)11-7-12-23(25)30-3/h6-9,11-12,14,16,21H,4-5,10,13,15H2,1-3H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM202953
PNG
(US9242970, 100)
Show SMILES COc1cccc(OC)c1C1CCCCC(=O)N1Cc1cccc(c1)-c1ncc(C)s1
Show InChI InChI=1S/C25H28N2O3S/c1-17-15-26-25(31-17)19-9-6-8-18(14-19)16-27-20(10-4-5-13-23(27)28)24-21(29-2)11-7-12-22(24)30-3/h6-9,11-12,14-15,20H,4-5,10,13,16H2,1-3H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM202999
PNG
(US9242970, 148)
Show SMILES COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(c1)-c1ncc(C)s1
Show InChI InChI=1S/C24H26N2O3S/c1-15-11-19(22-20(28-3)9-6-10-21(22)29-4)26(24(15)27)14-17-7-5-8-18(12-17)23-25-13-16(2)30-23/h5-10,12-13,15,19H,11,14H2,1-4H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM202937
PNG
(US9242970, 84)
Show SMILES COc1cccc(OC)c1C1CCCCC(=O)N1Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C26H28N2O3/c1-30-23-13-8-14-24(31-2)26(23)22-12-3-4-15-25(29)28(22)18-19-9-7-10-20(17-19)21-11-5-6-16-27-21/h5-11,13-14,16-17,22H,3-4,12,15,18H2,1-2H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447810
PNG
(CHEMBL3113746 | US9242970, 16)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(c1)-c1csc(C)n1
Show InChI InChI=1S/C24H26N2O3S/c1-16-25-19(15-30-16)18-8-4-7-17(13-18)14-26-20(9-5-12-23(26)27)24-21(28-2)10-6-11-22(24)29-3/h4,6-8,10-11,13,15,20H,5,9,12,14H2,1-3H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM202954
PNG
(US9242970, 101)
Show SMILES COc1cccc(OC)c1C1CCCCC(=O)N1Cc1cccc(c1)-n1nccn1
Show InChI InChI=1S/C23H26N4O3/c1-29-20-10-6-11-21(30-2)23(20)19-9-3-4-12-22(28)26(19)16-17-7-5-8-18(15-17)27-24-13-14-25-27/h5-8,10-11,13-15,19H,3-4,9,12,16H2,1-2H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM202925
PNG
(US9242970, 72)
Show SMILES COc1cccc(OC)c1C1CCCCC(=O)N1Cc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C27H29NO3/c1-30-24-15-9-16-25(31-2)27(24)23-14-6-7-17-26(29)28(23)19-20-10-8-13-22(18-20)21-11-4-3-5-12-21/h3-5,8-13,15-16,18,23H,6-7,14,17,19H2,1-2H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM202946
PNG
(US9242970, 93)
Show SMILES COc1cccc(OC)c1C1CCCCC(=O)N1Cc1cccc(c1)N1CCCC1
Show InChI InChI=1S/C25H32N2O3/c1-29-22-12-8-13-23(30-2)25(22)21-11-3-4-14-24(28)27(21)18-19-9-7-10-20(17-19)26-15-5-6-16-26/h7-10,12-13,17,21H,3-6,11,14-16,18H2,1-2H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447804
PNG
(CHEMBL3113752 | US9242970, 57)
Show SMILES COc1ccnc(OC)c1C1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C25H24N2O4/c1-29-22-12-13-26-25(30-2)24(22)19-7-5-9-23(28)27(19)15-16-10-11-21-18(14-16)17-6-3-4-8-20(17)31-21/h3-4,6,8,10-14,19H,5,7,9,15H2,1-2H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM202938
PNG
(US9242970, 85)
Show SMILES COc1cccc(OC)c1C1CCCCC(=O)N1Cc1cccc(c1)-c1nccs1
Show InChI InChI=1S/C24H26N2O3S/c1-28-20-10-6-11-21(29-2)23(20)19-9-3-4-12-22(27)26(19)16-17-7-5-8-18(15-17)24-25-13-14-30-24/h5-8,10-11,13-15,19H,3-4,9,12,16H2,1-2H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM203276
PNG
(US9242970, 461)
Show SMILES CCOc1cccc(F)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C20H17ClF5NO3/c1-2-29-17-5-3-4-13(22)18(17)15-9-14(23)19(28)27(15)10-11-6-7-16(12(21)8-11)30-20(24,25)26/h3-8,14-15H,2,9-10H2,1H3/t14-,15-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM202984
PNG
(US9242970, 132)
Show SMILES COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(c1)-c1nccs1
Show InChI InChI=1S/C23H24N2O3S/c1-15-12-18(21-19(27-2)8-5-9-20(21)28-3)25(23(15)26)14-16-6-4-7-17(13-16)22-24-10-11-29-22/h4-11,13,15,18H,12,14H2,1-3H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447814
PNG
(CHEMBL3113742 | US9242970, 30)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C26H25NO4/c1-29-23-10-6-11-24(30-2)26(23)20-8-5-12-25(28)27(20)16-17-13-14-22-19(15-17)18-7-3-4-9-21(18)31-22/h3-4,6-7,9-11,13-15,20H,5,8,12,16H2,1-2H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM203175
PNG
(US9242970, 357)
Show SMILES COc1cccc(OC)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C25H23NO5/c1-29-22-8-5-9-23(30-2)24(22)18-13-19(27)25(28)26(18)14-15-10-11-21-17(12-15)16-6-3-4-7-20(16)31-21/h3-12,18-19,27H,13-14H2,1-2H3/t18-,19+/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM202875
PNG
(US9242970, 14)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(c1)-c1nccs1
Show InChI InChI=1S/C23H24N2O3S/c1-27-19-9-5-10-20(28-2)22(19)18-8-4-11-21(26)25(18)15-16-6-3-7-17(14-16)23-24-12-13-29-23/h3,5-7,9-10,12-14,18H,4,8,11,15H2,1-2H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM202875
PNG
(US9242970, 14)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(c1)-c1nccs1
Show InChI InChI=1S/C23H24N2O3S/c1-27-19-9-5-10-20(28-2)22(19)18-8-4-11-21(26)25(18)15-16-6-3-7-17(14-16)23-24-12-13-29-23/h3,5-7,9-10,12-14,18H,4,8,11,15H2,1-2H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM203172
PNG
(US9242970, 353)
Show SMILES COc1cccc(OC)c1C1CC(F)(F)C(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C25H21F2NO4/c1-30-21-8-5-9-22(31-2)23(21)18-13-25(26,27)24(29)28(18)14-15-10-11-20-17(12-15)16-6-3-4-7-19(16)32-20/h3-12,18H,13-14H2,1-2H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM202960
PNG
(US9242970, 107)
Show SMILES COc1cccc(OC)c1C1CCCCC(=O)N1Cc1ccc(F)c(c1)-c1ccccn1
Show InChI InChI=1S/C26H27FN2O3/c1-31-23-10-7-11-24(32-2)26(23)22-9-3-4-12-25(30)29(22)17-18-13-14-20(27)19(16-18)21-8-5-6-15-28-21/h5-8,10-11,13-16,22H,3-4,9,12,17H2,1-2H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM203229
PNG
(US9242970, 412)
Show SMILES COc1cccc(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C24H20FNO4/c1-29-22-8-4-6-17(25)23(22)18-12-19(27)24(28)26(18)13-14-9-10-21-16(11-14)15-5-2-3-7-20(15)30-21/h2-11,18-19,27H,12-13H2,1H3/t18-,19+/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM203225
PNG
(US9242970, 408)
Show SMILES COc1cccc(F)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C24H19ClFNO3/c1-29-22-8-4-6-18(26)23(22)19-12-17(25)24(28)27(19)13-14-9-10-21-16(11-14)15-5-2-3-7-20(15)30-21/h2-11,17,19H,12-13H2,1H3/t17-,19-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50447804
PNG
(CHEMBL3113752 | US9242970, 57)
Show SMILES COc1ccnc(OC)c1C1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C25H24N2O4/c1-29-22-12-13-26-25(30-2)24(22)19-7-5-9-23(28)27(19)15-16-10-11-21-18(14-16)17-6-3-4-8-20(17)31-21/h3-4,6,8,10-14,19H,5,7,9,15H2,1-2H3
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM202950
PNG
(US9242970, 97)
Show SMILES COc1cccc(OC)c1C1CCCCC(=O)N1Cc1cccc(c1)-n1cccn1
Show InChI InChI=1S/C24H27N3O3/c1-29-21-11-6-12-22(30-2)24(21)20-10-3-4-13-23(28)26(20)17-18-8-5-9-19(16-18)27-15-7-14-25-27/h5-9,11-12,14-16,20H,3-4,10,13,17H2,1-2H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM203187
PNG
(US9242970, 369)
Show SMILES COc1cccc(OC)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C25H22ClNO4/c1-29-22-8-5-9-23(30-2)24(22)19-13-18(26)25(28)27(19)14-15-10-11-21-17(12-15)16-6-3-4-7-20(16)31-21/h3-12,18-19H,13-14H2,1-2H3/t18-,19-/m0/s1
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM203258
PNG
(US9242970, 443)
Show SMILES COc1ccc2OCCOc2c1C1CCCC(=O)N1Cc1cccc(c1)-c1csc(C)n1
Show InChI InChI=1S/C25H26N2O4S/c1-16-26-19(15-32-16)18-6-3-5-17(13-18)14-27-20(7-4-8-23(27)28)24-21(29-2)9-10-22-25(24)31-12-11-30-22/h3,5-6,9-10,13,15,20H,4,7-8,11-12,14H2,1-2H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447805
PNG
(CHEMBL3113751 | US9242970, 35)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1csc(n1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O3S/c1-27-19-11-7-12-20(28-2)22(19)18-10-6-13-21(26)25(18)14-17-15-29-23(24-17)16-8-4-3-5-9-16/h3-5,7-9,11-12,15,18H,6,10,13-14H2,1-2H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447786
PNG
(CHEMBL3113770 | US9242970, 137)
Show SMILES COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C26H25NO4/c1-16-13-20(25-23(29-2)9-6-10-24(25)30-3)27(26(16)28)15-17-11-12-22-19(14-17)18-7-4-5-8-21(18)31-22/h4-12,14,16,20H,13,15H2,1-3H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447803
PNG
(CHEMBL3113753 | US9242970, 56)
Show SMILES COc1ccnc(OC)c1C1CCCC(=O)N1Cc1csc(n1)-c1ccccc1
Show InChI InChI=1S/C22H23N3O3S/c1-27-18-11-12-23-21(28-2)20(18)17-9-6-10-19(26)25(17)13-16-14-29-22(24-16)15-7-4-3-5-8-15/h3-5,7-8,11-12,14,17H,6,9-10,13H2,1-2H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM202955
PNG
(US9242970, 102)
Show SMILES COc1cccc(OC)c1C1CCCCC(=O)N1Cc1cccc(c1)-c1cscn1
Show InChI InChI=1S/C24H26N2O3S/c1-28-21-10-6-11-22(29-2)24(21)20-9-3-4-12-23(27)26(20)14-17-7-5-8-18(13-17)19-15-30-16-25-19/h5-8,10-11,13,15-16,20H,3-4,9,12,14H2,1-2H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM203180
PNG
(US9242970, 362)
Show SMILES COc1cccc(F)c1C1CC(C)C(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C25H22FNO3/c1-15-12-20(24-19(26)7-5-9-23(24)29-2)27(25(15)28)14-16-10-11-22-18(13-16)17-6-3-4-8-21(17)30-22/h3-11,13,15,20H,12,14H2,1-2H3
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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50447769
PNG
(CHEMBL3113544 | US9242970, 184)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1C(C)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H24F3NO4/c1-14(15-10-12-16(13-11-15)30-22(23,24)25)26-17(6-4-9-20(26)27)21-18(28-2)7-5-8-19(21)29-3/h5,7-8,10-14,17H,4,6,9H2,1-3H3
PDB

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ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%