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Compile Data Set for Download or QSAR

Found 3662 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor 1'   
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 1


(Homo sapiens (Human))
BDBM184008
PNG
(US9150566, 45)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1cccs1)-n1nccn1
Show InChI InChI=1S/C25H24N4O2S/c1-18-7-8-23(29-26-9-10-27-29)22(14-18)25(30)28-11-12-31-17-21(28)16-19-4-2-5-20(15-19)24-6-3-13-32-24/h2-10,13-15,21H,11-12,16-17H2,1H3/t21-/m1/s1
PDB

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n/an/a 0.100n/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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(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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n/an/a 0.300n/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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184006
PNG
(US9150566, 43)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1nccs1)-n1nccn1
Show InChI InChI=1S/C24H23N5O2S/c1-17-5-6-22(29-26-7-8-27-29)21(13-17)24(30)28-10-11-31-16-20(28)15-18-3-2-4-19(14-18)23-25-9-12-32-23/h2-9,12-14,20H,10-11,15-16H2,1H3/t20-/m1/s1
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n/an/a 0.300n/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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184041
PNG
(US9150566, 79)
Show SMILES Cc1cc(C(=O)N2CCOC[C@H]2Cc2ccc(C)c(c2)-c2ncon2)c(cc1C)-n1nccn1
Show InChI InChI=1S/C25H26N6O3/c1-16-4-5-19(13-21(16)24-26-15-34-29-24)12-20-14-33-9-8-30(20)25(32)22-10-17(2)18(3)11-23(22)31-27-6-7-28-31/h4-7,10-11,13,15,20H,8-9,12,14H2,1-3H3/t20-/m1/s1
PDB

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n/an/a 0.400n/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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM183973
PNG
(US9150566, 10)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1cccs1
Show InChI InChI=1S/C25H24N4O3S/c1-31-23-9-8-18(16-21(23)24-7-4-14-33-24)15-19-17-32-13-12-28(19)25(30)20-5-2-3-6-22(20)29-26-10-11-27-29/h2-11,14,16,19H,12-13,15,17H2,1H3/t19-/m1/s1
PDB

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n/an/a 0.5n/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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184009
PNG
(US9150566, 46)
Show SMILES O=C(N1CCOC[C@H]1Cc1cccc(c1)-c1cccs1)c1ccccc1-n1nccn1
Show InChI InChI=1S/C24H22N4O2S/c29-24(21-7-1-2-8-22(21)28-25-10-11-26-28)27-12-13-30-17-20(27)16-18-5-3-6-19(15-18)23-9-4-14-31-23/h1-11,14-15,20H,12-13,16-17H2/t20-/m1/s1
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n/an/a 0.5n/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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM183962
PNG
(US9150566, Ref. 2)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1
Show InChI InChI=1/C23H23N7O/c1-17-7-8-22(30-26-11-12-27-30)21(14-17)23(31)28-13-3-6-19(28)15-18-4-2-5-20(16-18)29-24-9-10-25-29/h2,4-5,7-12,14,16,19H,3,6,13,15H2,1H3/t19-/s2
PDB

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n/an/a 0.5n/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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184090
PNG
(US9150566, 128)
Show SMILES Cc1cc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-n2nccn2)c(cc1C)-n1nccn1
Show InChI InChI=1S/C24H24FN7O2/c1-16-11-21(23(12-17(16)2)32-28-7-8-29-32)24(33)30-9-10-34-15-20(30)14-18-13-19(3-4-22(18)25)31-26-5-6-27-31/h3-8,11-13,20H,9-10,14-15H2,1-2H3/t20-/m1/s1
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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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184020
PNG
(US9150566, 58)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2cc(C)ccc2-n2nccn2)cc1-c1ncon1
Show InChI InChI=1S/C24H24N6O4/c1-16-3-5-21(30-26-7-8-27-30)19(11-16)24(31)29-9-10-33-14-18(29)12-17-4-6-22(32-2)20(13-17)23-25-15-34-28-23/h3-8,11,13,15,18H,9-10,12,14H2,1-2H3/t18-/m1/s1
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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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184022
PNG
(US9150566, 60)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2ccc(C)cc2-n2nccn2)cc1-c1ncon1
Show InChI InChI=1S/C24H24N6O4/c1-16-3-5-19(21(11-16)30-26-7-8-27-30)24(31)29-9-10-33-14-18(29)12-17-4-6-22(32-2)20(13-17)23-25-15-34-28-23/h3-8,11,13,15,18H,9-10,12,14H2,1-2H3/t18-/m1/s1
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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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM208487
PNG
(US9266870, 3)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCOC1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1
PDB

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n/an/a 0.700n/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 1


(Homo sapiens (Human))
BDBM184065
PNG
(US9150566, 103)
Show SMILES Cc1cc(c(cc1Cl)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1
Show InChI InChI=1S/C23H22ClN7O2/c1-16-11-22(31-27-7-8-28-31)20(14-21(16)24)23(32)29-9-10-33-15-19(29)13-17-3-2-4-18(12-17)30-25-5-6-26-30/h2-8,11-12,14,19H,9-10,13,15H2,1H3/t19-/m1/s1
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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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(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
PDB

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n/an/a 0.800n/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 1


(Homo sapiens (Human))
BDBM50384423
PNG
(CHEMBL2031485)
Show SMILES C[C@@H]1CCCN([C@@H]1CNC(=O)c1cccc2occc12)C(=O)c1nc(C)sc1-c1ccccc1
Show InChI InChI=1S/C27H27N3O3S/c1-17-8-7-14-30(27(32)24-25(34-18(2)29-24)19-9-4-3-5-10-19)22(17)16-28-26(31)21-11-6-12-23-20(21)13-15-33-23/h3-6,9-13,15,17,22H,7-8,14,16H2,1-2H3,(H,28,31)/t17-,22-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


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


(Homo sapiens (Human))
BDBM50384412
PNG
(CHEMBL2031504)
Show SMILES C[C@H]1CCC[C@@H](CNC(=O)c2cccc3occc23)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C27H26FN3O3S/c1-16-5-3-6-20(15-29-26(32)22-7-4-8-23-21(22)13-14-34-23)31(16)27(33)24-25(35-17(2)30-24)18-9-11-19(28)12-10-18/h4,7-14,16,20H,3,5-6,15H2,1-2H3,(H,29,32)/t16-,20-/m0/s1
PDB

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n/an/a 0.800n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


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


(Homo sapiens (Human))
BDBM208519
PNG
(US9266870, 35)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCOC1Cn1cc(cn1)-c1ccc(F)cc1)-n1nccn1
PDB

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n/an/a 0.800n/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 1


(Homo sapiens (Human))
BDBM208511
PNG
(US9266870, 27)
Show SMILES Cc1ccc(c(n1)C(=O)N1CCOC1Cn1ccc(n1)-c1ccc(F)cc1)-n1nccn1
PDB

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n/an/a 0.900n/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 1


(Homo sapiens (Human))
BDBM184031
PNG
(US9150566, 69)
Show SMILES C[C@@H]1COC[C@@H](Cc2cccc(c2)-n2nccn2)N1C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-6-7-22(23(12-17)31-27-10-11-28-31)24(32)29-18(2)15-33-16-21(29)14-19-4-3-5-20(13-19)30-25-8-9-26-30/h3-13,18,21H,14-16H2,1-2H3/t18-,21-/m1/s1
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n/an/a 0.900n/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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM208525
PNG
(US9266870, 41)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCOC1Cn1ccc(n1)-c1ccc(F)cc1)-c1ncccn1
PDB

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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 1


(Homo sapiens (Human))
BDBM50384437
PNG
(CHEMBL2031501)
Show SMILES Cc1nc(C(=O)N2CC(F)CC[C@H]2CNC(=O)c2cccc3occc23)c(s1)-c1ccccc1
Show InChI InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-6-3-2-4-7-17)26(32)30-15-18(27)10-11-19(30)14-28-25(31)21-8-5-9-22-20(21)12-13-33-22/h2-9,12-13,18-19H,10-11,14-15H2,1H3,(H,28,31)/t18?,19-/m0/s1
PDB

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n/an/a 1n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


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


(Homo sapiens (Human))
BDBM202943
PNG
(US9242970, 90)
Show SMILES COc1cccc(OC)c1C1CCCCC(=O)N1Cc1ccc2oc3ccccc3c2c1
Show InChI InChI=1/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
PDB

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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 1


(Homo sapiens (Human))
BDBM202944
PNG
(US9242970, 91)
Show SMILES COc1cccc(OC)c1C1CCCCC(=O)N1Cc1cccc(c1)-c1csc(C)n1
Show InChI InChI=1/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)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM202953
PNG
(US9242970, 100)
Show SMILES COc1cccc(OC)c1C1CCCCC(=O)N1Cc1cccc(c1)-c1ncc(C)s1
Show InChI InChI=1/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)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184155
PNG
(US9150566, 193)
Show SMILES Cc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1nccs1
Show InChI InChI=1S/C24H23N5O2S/c1-17-6-7-18(15-21(17)23-25-10-13-32-23)14-19-16-31-12-11-28(19)24(30)20-4-2-3-5-22(20)29-26-8-9-27-29/h2-10,13,15,19H,11-12,14,16H2,1H3/t19-/m1/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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184039
PNG
(US9150566, 77)
Show SMILES Clc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c(c1)-n1nccn1
Show InChI InChI=1S/C22H20ClN7O2/c23-17-4-5-20(21(14-17)30-26-8-9-27-30)22(31)28-10-11-32-15-19(28)13-16-2-1-3-18(12-16)29-24-6-7-25-29/h1-9,12,14,19H,10-11,13,15H2/t19-/m1/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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184047
PNG
(US9150566, 85)
Show SMILES Cc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-c2ncon2)c(cc1C)-n1nccn1
Show InChI InChI=1S/C24H24N6O3/c1-16-10-21(22(11-17(16)2)30-26-6-7-27-30)24(31)29-8-9-32-14-20(29)13-18-4-3-5-19(12-18)23-25-15-33-28-23/h3-7,10-12,15,20H,8-9,13-14H2,1-2H3/t20-/m1/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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184060
PNG
(US9150566, 98)
Show SMILES C[C@@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1cc(C)c(C)cc1-n1nccn1
Show InChI InChI=1S/C25H27N7O2/c1-17-11-23(24(12-18(17)2)32-28-9-10-29-32)25(33)30-15-19(3)34-16-22(30)14-20-5-4-6-21(13-20)31-26-7-8-27-31/h4-13,19,22H,14-16H2,1-3H3/t19-,22-/m1/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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184071
PNG
(US9150566, 109)
Show SMILES C[C@@H]1CN([C@H](Cc2cccc(c2)-c2ncccn2)CO1)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C26H26N6O2/c1-18-7-8-24(32-29-11-12-30-32)23(13-18)26(33)31-16-19(2)34-17-22(31)15-20-5-3-6-21(14-20)25-27-9-4-10-28-25/h3-14,19,22H,15-17H2,1-2H3/t19-,22-/m1/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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184076
PNG
(US9150566, 114)
Show SMILES C[C@@H]1CN([C@H](Cc2cccc(c2)-c2ncccn2)CO1)C(=O)c1ccc(Cl)cc1-n1nccn1
Show InChI InChI=1S/C25H23ClN6O2/c1-17-15-31(25(33)22-7-6-20(26)14-23(22)32-29-10-11-30-32)21(16-34-17)13-18-4-2-5-19(12-18)24-27-8-3-9-28-24/h2-12,14,17,21H,13,15-16H2,1H3/t17-,21-/m1/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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM183971
PNG
(US9150566, 8)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1nccs1
Show InChI InChI=1S/C24H23N5O3S/c1-31-22-7-6-17(15-20(22)23-25-10-13-33-23)14-18-16-32-12-11-28(18)24(30)19-4-2-3-5-21(19)29-26-8-9-27-29/h2-10,13,15,18H,11-12,14,16H2,1H3/t18-/m1/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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM183998
PNG
(US9150566, 35)
Show SMILES Cc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c(cc1C)-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-12-22(23(13-18(17)2)31-27-8-9-28-31)24(32)29-10-11-33-16-21(29)15-19-4-3-5-20(14-19)30-25-6-7-26-30/h3-9,12-14,21H,10-11,15-16H2,1-2H3/t21-/m1/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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184001
PNG
(US9150566, 38)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1cccc1)-n1nccn1
Show InChI InChI=1S/C25H25N5O2/c1-19-7-8-24(30-26-9-10-27-30)23(15-19)25(31)29-13-14-32-18-22(29)17-20-5-4-6-21(16-20)28-11-2-3-12-28/h2-12,15-16,22H,13-14,17-18H2,1H3/t22-/m1/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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM183961
PNG
(US9150566, Ref. 3)
Show SMILES O=C(N1CCCC[C@H]1Cc1cccc(c1)-n1nccn1)c1ccccc1-n1nccn1
Show InChI InChI=1/C23H23N7O/c31-23(21-9-1-2-10-22(21)30-26-13-14-27-30)28-15-4-3-7-19(28)16-18-6-5-8-20(17-18)29-24-11-12-25-29/h1-2,5-6,8-14,17,19H,3-4,7,15-16H2/t19-/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 1


(Homo sapiens (Human))
BDBM184021
PNG
(US9150566, 59)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncon1
Show InChI InChI=1S/C23H22N6O4/c1-31-21-7-6-16(13-19(21)22-24-15-33-27-22)12-17-14-32-11-10-28(17)23(30)18-4-2-3-5-20(18)29-25-8-9-26-29/h2-9,13,15,17H,10-12,14H2,1H3/t17-/m1/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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184023
PNG
(US9150566, 61)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2ccc(F)cc2-n2nccn2)cc1-c1ncon1
Show InChI InChI=1S/C23H21FN6O4/c1-32-21-5-2-15(11-19(21)22-25-14-34-28-22)10-17-13-33-9-8-29(17)23(31)18-4-3-16(24)12-20(18)30-26-6-7-27-30/h2-7,11-12,14,17H,8-10,13H2,1H3/t17-/m1/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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM208521
PNG
(US9266870, 37)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCOC1Cc1noc(n1)-c1ccc(F)cc1)-n1nccn1
PDB

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n/an/a 1.10n/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 1


(Homo sapiens (Human))
BDBM184043
PNG
(US9150566, 81)
Show SMILES Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-c2ncon2)c(c1)-n1nccn1
Show InChI InChI=1S/C23H22N6O3/c1-16-5-6-20(21(11-16)29-25-7-8-26-29)23(30)28-9-10-31-14-19(28)13-17-3-2-4-18(12-17)22-24-15-32-27-22/h2-8,11-12,15,19H,9-10,13-14H2,1H3/t19-/m1/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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM50384429
PNG
(CHEMBL2031492)
Show SMILES C[C@H]1CCCN([C@@H]1CNC(=O)c1cccc2cccnc12)C(=O)c1nc(C)sc1-c1ccccc1
Show InChI InChI=1S/C28H28N4O2S/c1-18-9-8-16-32(28(34)25-26(35-19(2)31-25)21-10-4-3-5-11-21)23(18)17-30-27(33)22-14-6-12-20-13-7-15-29-24(20)22/h3-7,10-15,18,23H,8-9,16-17H2,1-2H3,(H,30,33)/t18-,23+/m0/s1
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Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


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


(Homo sapiens (Human))
BDBM50384428
PNG
(CHEMBL2031491)
Show SMILES C[C@@H]1CCCN([C@@H]1CNC(=O)c1cccc2cccnc12)C(=O)c1nc(C)sc1-c1ccccc1
Show InChI InChI=1S/C28H28N4O2S/c1-18-9-8-16-32(28(34)25-26(35-19(2)31-25)21-10-4-3-5-11-21)23(18)17-30-27(33)22-14-6-12-20-13-7-15-29-24(20)22/h3-7,10-15,18,23H,8-9,16-17H2,1-2H3,(H,30,33)/t18-,23-/m1/s1
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Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


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


(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 OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


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

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


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


(Homo sapiens (Human))
BDBM184013
PNG
(US9150566, 50)
Show SMILES COc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncccn1)-n1nccn1
Show InChI InChI=1S/C25H24N6O3/c1-33-21-6-7-23(31-28-10-11-29-31)22(16-21)25(32)30-12-13-34-17-20(30)15-18-4-2-5-19(14-18)24-26-8-3-9-27-24/h2-11,14,16,20H,12-13,15,17H2,1H3/t20-/m1/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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184007
PNG
(US9150566, 44)
Show SMILES O=C(N1CCOC[C@H]1Cc1cccc(c1)-c1nccs1)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H21N5O2S/c29-23(20-6-1-2-7-21(20)28-25-8-9-26-28)27-11-12-30-16-19(27)15-17-4-3-5-18(14-17)22-24-10-13-31-22/h1-10,13-14,19H,11-12,15-16H2/t19-/m1/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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM202985
PNG
(US9242970, 133)
Show SMILES COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(c1)-c1csc(C)n1
Show InChI InChI=1/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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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 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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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 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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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 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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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 1


(Homo sapiens (Human))
BDBM202938
PNG
(US9242970, 85)
Show SMILES COc1cccc(OC)c1C1CCCCC(=O)N1Cc1cccc(c1)-c1nccs1
Show InChI InChI=1/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)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184140
PNG
(US9150566, 178)
Show SMILES Fc1ccc(cc1C[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1-n1nccn1)-c1ncon1
Show InChI InChI=1S/C22H18ClFN6O3/c23-16-2-3-18(20(11-16)30-26-5-6-27-30)22(31)29-7-8-32-12-17(29)10-15-9-14(1-4-19(15)24)21-25-13-33-28-21/h1-6,9,11,13,17H,7-8,10,12H2/t17-/m1/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 US9150566 (2015)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM184141
PNG
(US9150566, 179)
Show SMILES Cc1cc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-c2ncon2)c(cc1C)-n1nccn1
Show InChI InChI=1S/C24H23FN6O3/c1-15-9-20(22(10-16(15)2)31-27-5-6-28-31)24(32)30-7-8-33-13-19(30)12-18-11-17(3-4-21(18)25)23-26-14-34-29-23/h3-6,9-11,14,19H,7-8,12-13H2,1-2H3/t19-/m1/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 US9150566 (2015)

More data for this
Ligand-Target Pair
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