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Compile Data Set for Download or QSAR

Found 4149 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor 2'   
Target
(Institution)
LigandTarget
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))
BDBM50318701
PNG
(CHEMBL1083659 | MK-4305 | [(7R)-4-(5-Chloro-1,3-be...)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60...


Bioorg Med Chem Lett 25: 4992-9 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 (...


US Patent US9403813 (2016)

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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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 (...


US Patent US9403813 (2016)

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=1/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-/s2
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n/an/a 0.700n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of human orexin-A-induced calcium flux preincubated for ...


Bioorg Med Chem Lett 25: 2875-87 (2015)

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=1/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-/s2
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n/an/a 0.700n/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 (...


US Patent US9403813 (2016)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM50438818
PNG
(CHEMBL2413371)
Show SMILES CN(Cc1ccc(F)cc1)C(=O)Cc1c(C)c(c2ccccn12)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C26H25FN2O3S/c1-19-24(16-25(30)28(2)17-20-11-13-22(27)14-12-20)29-15-7-6-10-23(29)26(19)33(31,32)18-21-8-4-3-5-9-21/h3-15H,16-18H2,1-2H3
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n/an/a 0.800n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin receptor 2 expressed in CHO cells assessed as inhibition of orexin-A-induced calcium flux by FLIPR assay


Bioorg Med Chem Lett 23: 4761-9 (2013)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM50436391
PNG
(CHEMBL2396865)
Show SMILES CCc1nc(Cl)c2[C@H](CCc3ccc(OC(F)F)cc3)N(CCn12)[C@@H](C(=O)NC)c1ccccc1
Show InChI InChI=1S/C26H29ClF2N4O2/c1-3-21-31-24(27)23-20(14-11-17-9-12-19(13-10-17)35-26(28)29)32(15-16-33(21)23)22(25(34)30-2)18-7-5-4-6-8-18/h4-10,12-13,20,22,26H,3,11,14-16H2,1-2H3,(H,30,34)/t20-,22+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 23: 3857-63 (2013)

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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n/an/a 1n/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 (...


US Patent US9403813 (2016)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM202918
PNG
(US9242970, 65)
Show SMILES COc1cncc(OC)c1C1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1/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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n/an/a 1n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 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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n/an/a 1n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM50438819
PNG
(CHEMBL2413370)
Show SMILES CN(Cc1ccccc1)C(=O)Cc1c(C)c(c2ccccn12)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C26H26N2O3S/c1-20-24(17-25(29)27(2)18-21-11-5-3-6-12-21)28-16-10-9-15-23(28)26(20)32(30,31)19-22-13-7-4-8-14-22/h3-16H,17-19H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin receptor 2 expressed in CHO cells assessed as inhibition of orexin-A-induced calcium flux by FLIPR assay


Bioorg Med Chem Lett 23: 4761-9 (2013)

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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n/an/a 1n/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 (...


US Patent US9403813 (2016)

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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n/an/a 1n/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 (...


US Patent US9403813 (2016)

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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n/an/a 1n/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 (...


US Patent US9403813 (2016)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM208519
PNG
(US9266870, 35)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCOC1Cn1cc(cn1)-c1ccc(F)cc1)-n1nccn1
Show InChI InChI=1/C24H23FN6O2/c1-17-3-8-22(31-26-9-10-27-31)21(13-17)24(32)30-11-2-12-33-23(30)16-29-15-19(14-28-29)18-4-6-20(25)7-5-18/h3-10,13-15,23H,2,11-12,16H2,1H3
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n/an/a 1n/an/an/an/an/an/a



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...


US Patent US9266870 (2016)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM208525
PNG
(US9266870, 41)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCOC1Cn1ccc(n1)-c1ccc(F)cc1)-c1ncccn1
Show InChI InChI=1/C26H24FN5O2/c1-18-4-9-21(25-28-11-2-12-29-25)22(16-18)26(33)32-13-3-15-34-24(32)17-31-14-10-23(30-31)19-5-7-20(27)8-6-19/h2,4-12,14,16,24H,3,13,15,17H2,1H3
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n/an/a 1n/an/an/an/an/an/a



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...


US Patent US9266870 (2016)

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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n/an/a 1n/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 (...


US Patent US9403813 (2016)

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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n/an/a 1n/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 (...


US Patent US9403813 (2016)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM208513
PNG
(US9266870, 29)
Show SMILES Cc1ccc(-c2ncccn2)c(n1)C(=O)N1CCCOC1Cn1ccc(n1)-c1ccc(F)cc1
Show InChI InChI=1/C25H23FN6O2/c1-17-4-9-20(24-27-11-2-12-28-24)23(29-17)25(33)32-13-3-15-34-22(32)16-31-14-10-21(30-31)18-5-7-19(26)8-6-18/h2,4-12,14,22H,3,13,15-16H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...


US Patent US9266870 (2016)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM208487
PNG
(US9266870, 3)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCOC1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1
Show InChI InChI=1/C23H22FN7O2/c1-16-3-6-21(31-26-8-9-27-31)18(13-16)23(32)30-10-2-12-33-22(30)15-29-11-7-20(28-29)19-5-4-17(24)14-25-19/h3-9,11,13-14,22H,2,10,12,15H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...


US Patent US9266870 (2016)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM208524
PNG
(US9266870, 40 | US9266870, 49)
Show SMILES CC1COC(Cn2cc(cn2)-c2ccc(F)cn2)N(C1)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1/C24H24FN7O2/c1-16-3-6-22(32-27-7-8-28-32)20(9-16)24(33)31-12-17(2)15-34-23(31)14-30-13-18(10-29-30)21-5-4-19(25)11-26-21/h3-11,13,17,23H,12,14-15H2,1-2H3
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n/an/a 1.40n/an/an/an/an/an/a



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...


US Patent US9266870 (2016)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM208521
PNG
(US9266870, 37)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCOC1Cc1noc(n1)-c1ccc(F)cc1)-n1nccn1
Show InChI InChI=1/C23H21FN6O3/c1-15-3-8-19(30-25-9-10-26-30)18(13-15)23(31)29-11-2-12-32-21(29)14-20-27-22(33-28-20)16-4-6-17(24)7-5-16/h3-10,13,21H,2,11-12,14H2,1H3
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n/an/a 1.70n/an/an/an/an/an/a



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...


US Patent US9266870 (2016)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM50292966
PNG
((R)-2-((S)-3-ethyl-8-(3-fluoro-4-methylphenethyl)-...)
Show SMILES CCc1nc(OC)c2[C@H](CCc3ccc(C)c(F)c3)N(CCn12)[C@@H](C(=O)NC)c1ccccc1
Show InChI InChI=1S/C27H33FN4O2/c1-5-23-30-27(34-4)25-22(14-13-19-12-11-18(2)21(28)17-19)31(15-16-32(23)25)24(26(33)29-3)20-9-7-6-8-10-20/h6-12,17,22,24H,5,13-16H2,1-4H3,(H,29,33)/t22-,24+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at OX2 receptor by FLIPR


J Med Chem 52: 891-903 (2009)

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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n/an/a 2n/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 (...


US Patent US9403813 (2016)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM50384417
PNG
(CHEMBL2031478)
Show SMILES O=C(NCC1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1cccc2cccnc12
Show InChI InChI=1S/C29H27N3O2/c33-28(26-17-8-12-22-13-9-18-30-27(22)26)31-20-23-14-6-7-19-32(23)29(34)25-16-5-4-15-24(25)21-10-2-1-3-11-21/h1-5,8-13,15-18,23H,6-7,14,19-20H2,(H,31,33)
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n/an/a 2n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


Bioorg Med Chem Lett 22: 3890-4 (2012)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM50384408
PNG
(CHEMBL2031498)
Show SMILES FC1(F)CC[C@@H](CNC(=O)c2cccc3cccnc23)N(C1)C(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C29H25F2N3O2/c30-29(31)16-15-22(18-33-27(35)25-14-6-10-21-11-7-17-32-26(21)25)34(19-29)28(36)24-13-5-4-12-23(24)20-8-2-1-3-9-20/h1-14,17,22H,15-16,18-19H2,(H,33,35)/t22-/m0/s1
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Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


Bioorg Med Chem Lett 22: 3890-4 (2012)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM50436376
PNG
(CHEMBL2396842)
Show SMILES CNC(=O)[C@H](N1CCn2c(nc(Cl)c2[C@@H]1CCc1ccc(OC(F)F)c(F)c1)C1CC1)c1ccccc1
Show InChI InChI=1S/C27H28ClF3N4O2/c1-32-26(36)22(17-5-3-2-4-6-17)34-13-14-35-23(24(28)33-25(35)18-9-10-18)20(34)11-7-16-8-12-21(19(29)15-16)37-27(30)31/h2-6,8,12,15,18,20,22,27H,7,9-11,13-14H2,1H3,(H,32,36)/t20-,22+/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 23: 3857-63 (2013)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM50434481
PNG
(CHEMBL2385132 | CHEMBL2385133 | CHEMBL2385134)
Show SMILES CCN(Cc1cccnc1)C(=O)CN(c1ccc(OC)nc1)S(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C23H26N4O4S/c1-4-26(16-19-9-7-13-24-14-19)23(28)17-27(20-11-12-22(31-3)25-15-20)32(29,30)21-10-6-5-8-18(21)2/h5-15H,4,16-17H2,1-3H3
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n/an/a 2n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at OX2 receptor (unknown origin)


Bioorg Med Chem Lett 23: 3389-92 (2013)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM154928
PNG
(US9000029, 7)
Show SMILES CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C18H19ClN2O3S2/c1-25-15-7-3-6-14(12-15)20-18(22)17-9-4-10-21(17)26(23,24)16-8-2-5-13(19)11-16/h2-3,5-8,11-12,17H,4,9-10H2,1H3,(H,20,22)/t17-/m0/s1
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n/an/a 2n/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 (...


US Patent US9000029 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM154932
PNG
(US9000029, 11)
Show SMILES CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)c1
Show InChI InChI=1S/C18H19BrN2O3S2/c1-25-15-7-3-6-14(12-15)20-18(22)17-9-4-10-21(17)26(23,24)16-8-2-5-13(19)11-16/h2-3,5-8,11-12,17H,4,9-10H2,1H3,(H,20,22)/t17-/m0/s1
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n/an/a 2n/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 (...


US Patent US9000029 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM154935
PNG
(US9000029, 14)
Show SMILES CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C18H18Cl2N2O3S2/c1-26-13-5-2-4-12(10-13)21-18(23)17-6-3-9-22(17)27(24,25)14-7-8-15(19)16(20)11-14/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,21,23)/t17-/m0/s1
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n/an/a 2n/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 (...


US Patent US9000029 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM50074059
PNG
(CHEMBL3409870)
Show SMILES COc1cccc(OC)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1/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-/s2
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 25: 1884-91 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM50074056
PNG
(CHEMBL3409873)
Show SMILES COc1cccc(F)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1/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-/s2
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 25: 1884-91 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 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)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM183960
PNG
(US9150566, Ref. 4)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1
Show InChI InChI=1/C24H25N7O/c1-18-8-9-23(31-27-12-13-28-31)22(15-18)24(32)29-14-3-2-6-20(29)16-19-5-4-7-21(17-19)30-25-10-11-26-30/h4-5,7-13,15,17,20H,2-3,6,14,16H2,1H3/t20-/s2
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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 (...


US Patent US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM203198
PNG
(US9242970, 380)
Show SMILES CCOc1cccc(F)c1C1CC(C)C(=O)N1Cc1ccnc(c1)-c1ncc(C)s1
Show InChI InChI=1/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)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM203200
PNG
(US9242970, 382)
Show SMILES CCOc1cccc(F)c1C1CC(C)C(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1/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)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM203202
PNG
(US9242970, 384)
Show SMILES CCOc1cccc(F)c1C1CC(C)C(=O)N1Cc1cccc(c1)-c1ncc(C)s1
Show InChI InChI=1/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)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM221328
PNG
(US9303023, 27)
Show SMILES COc1ccc2[nH]cc(CCn3cc(NC(=O)c4ncoc4-c4ccccc4)cn3)c2c1
Show InChI InChI=1S/C24H21N5O3/c1-31-19-7-8-21-20(11-19)17(12-25-21)9-10-29-14-18(13-27-29)28-24(30)22-23(32-15-26-22)16-5-3-2-4-6-16/h2-8,11-15,25H,9-10H2,1H3,(H,28,30)
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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 (...


US Patent US9303023 (2016)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM221340
PNG
(US9303023, 39)
Show SMILES COc1ccc2[nH]cc(CCn3cc(NC(=O)c4ncoc4-c4cccc(Cl)c4)cn3)c2c1
Show InChI InChI=1S/C24H20ClN5O3/c1-32-19-5-6-21-20(10-19)16(11-26-21)7-8-30-13-18(12-28-30)29-24(31)22-23(33-14-27-22)15-3-2-4-17(25)9-15/h2-6,9-14,26H,7-8H2,1H3,(H,29,31)
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n/an/a 2n/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 (...


US Patent US9303023 (2016)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM203203
PNG
(US9242970, 385)
Show SMILES CCOc1cccc(F)c1C1CC(C)C(=O)N1Cc1cccc(c1)-c1nc(Cl)cs1
Show InChI InChI=1/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)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM203204
PNG
(US9242970, 386)
Show SMILES CCOc1cccc(F)c1C1CC(C)C(=O)N1Cc1ccnc(c1)-c1nc(C)cs1
Show InChI InChI=1/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)

More data for this
Ligand-Target Pair
Orexin receptor 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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n/an/a 2n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 2


(Homo sapiens (Human))
BDBM221360
PNG
(US9303023, 56)
Show SMILES COc1ccc2[nH]cc(CCn3cc(NC(=O)c4ncoc4-c4cccc(C)c4)cn3)c2c1
Show InChI InChI=1S/C25H23N5O3/c1-16-4-3-5-17(10-16)24-23(27-15-33-24)25(31)29-19-13-28-30(14-19)9-8-18-12-26-22-7-6-20(32-2)11-21(18)22/h3-7,10-15,26H,8-9H2,1-2H3,(H,29,31)
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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 (...


US Patent US9303023 (2016)

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=1/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-/s2
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of human orexin-A-induced calcium flux preincubated for ...


Bioorg Med Chem Lett 25: 2875-87 (2015)

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=1/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-/s2
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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 (...


US Patent US9403813 (2016)

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 (...


US Patent US9403813 (2016)

More data for this
Ligand-Target Pair
Orexin receptor 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

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 1201-8 (2014)

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 (...


US Patent US9403813 (2016)

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 (...


US Patent US9403813 (2016)

More data for this
Ligand-Target Pair
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