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Patent code US9611277

Compile Data Set for Download or QSAR

Found 990 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 (OX1)


(Rattus norvegicus (Rat))
BDBM314889
PNG
((3-fluoro-2-(pyrimidin-2-yl)phenyl)((1S,4S,6R)-6-(...)
Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-c1ncccn1
Show InChI InChI=1S/C23H19F4N5O/c24-16-4-1-3-15(20(16)21-28-7-2-8-29-21)22(33)32-12-13-9-17(18(32)10-13)31-19-6-5-14(11-30-19)23(25,26)27/h1-8,11,13,17-18H,9-10,12H2,(H,30,31)
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM314985
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-((5...)
Show SMILES Brc1ccc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/C20H19BrN6O/c21-14-5-6-19(22-11-14)25-16-9-13-10-18(16)26(12-13)20(28)15-3-1-2-4-17(15)27-23-7-8-24-27/h1-8,11,13,16,18H,9-10,12H2,(H,22,25)
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM314986
PNG
(((1S,4S,6R)-6-((5-bromopyridin-2-yl)amino)-2-azabi...)
Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4ccc(Br)cn4)C2C3)c1-c1ncccn1
Show InChI InChI=1S/C22H19BrFN5O/c23-14-5-6-19(27-11-14)28-17-9-13-10-18(17)29(12-13)22(30)15-3-1-4-16(24)20(15)21-25-7-2-8-26-21/h1-8,11,13,17-18H,9-10,12H2,(H,27,28)
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM314979
PNG
((5-fluoro-2-(pyrimidin-2-yl)phenyl)((1S,4S,6R)-6-(...)
Show SMILES CN(C1CC2CC1N(C2)C(=O)c1cc(F)ccc1-c1ncccn1)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C24H21F4N5O/c1-32(21-6-3-15(12-31-21)24(26,27)28)19-9-14-10-20(19)33(13-14)23(34)18-11-16(25)4-5-17(18)22-29-7-2-8-30-22/h2-8,11-12,14,19-20H,9-10,13H2,1H3
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM314987
PNG
(((1S,4S,6R)-6-((5-bromopyridin-2-yl)amino)-2-azabi...)
Show SMILES Fc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Nc3ccc(Br)cn3)C1C2
Show InChI InChI=1S/C22H19BrFN5O/c23-14-5-6-19(27-11-14)28-17-9-13-10-18(17)29(12-13)22(30)20-15(3-1-4-16(20)24)21-25-7-2-8-26-21/h1-8,11,13,17-18H,9-10,12H2,(H,27,28)
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM143797
PNG
(US10183953, Example 58 | US8969352, 58 | US9611277...)
Show SMILES Fc1ccc(-c2ncccn2)c(c1)C(=O)N1CC2CC(Nc3ccc(cn3)C(F)(F)F)C1C2
Show InChI InChI=1S/C23H19F4N5O/c24-15-3-4-16(21-28-6-1-7-29-21)17(10-15)22(33)32-12-13-8-18(19(32)9-13)31-20-5-2-14(11-30-20)23(25,26)27/h1-7,10-11,13,18-19H,8-9,12H2,(H,30,31)
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM143756
PNG
(US10183953, Example 17 | US8969352, 17 | US9611277...)
Show SMILES Cc1cccc(C(=O)N2CC3CC(Oc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1
Show InChI InChI=1S/C22H20F3N5O2/c1-13-3-2-4-16(20(13)30-27-7-8-28-30)21(31)29-12-14-9-17(29)18(10-14)32-19-6-5-15(11-26-19)22(23,24)25/h2-8,11,14,17-18H,9-10,12H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM314965
PNG
((3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...)
Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1
Show InChI InChI=1S/C21H18F4N6O/c22-15-3-1-2-14(19(15)31-27-6-7-28-31)20(32)30-11-12-8-16(17(30)9-12)29-18-5-4-13(10-26-18)21(23,24)25/h1-7,10,12,16-17H,8-9,11H2,(H,26,29)
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Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM143792
PNG
(US10183953, Example 53 | US8969352, 53 | US9611277...)
Show SMILES FC(F)(F)c1ccc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/C21H19F3N6O/c22-21(23,24)14-5-6-19(25-11-14)28-16-9-13-10-18(16)29(12-13)20(31)15-3-1-2-4-17(15)30-26-7-8-27-30/h1-8,11,13,16,18H,9-10,12H2,(H,25,28)
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Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM314847
PNG
((3-methyl-2-(oxazol-2-yl)phenyl)((1S,4R,6R)-6-((5-...)
Show SMILES Cc1ccc(OC2CC3CC2N(C3)C(=O)c2cccc(C)c2-c2ncco2)nc1
Show InChI InChI=1S/C23H23N3O3/c1-14-6-7-20(25-12-14)29-19-11-16-10-18(19)26(13-16)23(27)17-5-3-4-15(2)21(17)22-24-8-9-28-22/h3-9,12,16,18-19H,10-11,13H2,1-2H3
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3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM314978
PNG
((3-fluoro-2-(pyrimidin-2-yl)phenyl)((1S,4S,6R)-6-(...)
Show SMILES CN(C1CC2CC1N(C2)C(=O)c1cccc(F)c1-c1ncccn1)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C24H21F4N5O/c1-32(20-7-6-15(12-31-20)24(26,27)28)18-10-14-11-19(18)33(13-14)23(34)16-4-2-5-17(25)21(16)22-29-8-3-9-30-22/h2-9,12,14,18-19H,10-11,13H2,1H3
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3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM314996
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-((3...)
Show SMILES Fc1cc(cnc1NC1CC2CC1N(C2)C(=O)c1ccccc1-n1nccn1)C(F)(F)F
Show InChI InChI=1S/C21H18F4N6O/c22-15-9-13(21(23,24)25)10-26-19(15)29-16-7-12-8-18(16)30(11-12)20(32)14-3-1-2-4-17(14)31-27-5-6-28-31/h1-6,9-10,12,16,18H,7-8,11H2,(H,26,29)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM314847
PNG
((3-methyl-2-(oxazol-2-yl)phenyl)((1S,4R,6R)-6-((5-...)
Show SMILES Cc1ccc(OC2CC3CC2N(C3)C(=O)c2cccc(C)c2-c2ncco2)nc1
Show InChI InChI=1S/C23H23N3O3/c1-14-6-7-20(25-12-14)29-19-11-16-10-18(19)26(13-16)23(27)17-5-3-4-15(2)21(17)22-24-8-9-28-22/h3-9,12,16,18-19H,10-11,13H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM143787
PNG
(US10183953, Example 48 | US8969352, 48 | US9611277...)
Show SMILES Fc1cccc(C(=O)N2CC3CC(Oc4ccc(Br)cn4)C2C3)c1-c1ncccn1
Show InChI InChI=1S/C22H18BrFN4O2/c23-14-5-6-19(27-11-14)30-18-10-13-9-17(18)28(12-13)22(29)15-3-1-4-16(24)20(15)21-25-7-2-8-26-21/h1-8,11,13,17-18H,9-10,12H2
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Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM143794
PNG
(US10183953, Example 55 | US8969352, 55 | US9611277...)
Show SMILES Cc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1
Show InChI InChI=1S/C22H21F3N6O/c1-13-3-2-4-16(20(13)31-27-7-8-28-31)21(32)30-12-14-9-17(18(30)10-14)29-19-6-5-15(11-26-19)22(23,24)25/h2-8,11,14,17-18H,9-10,12H2,1H3,(H,26,29)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM143797
PNG
(US10183953, Example 58 | US8969352, 58 | US9611277...)
Show SMILES Fc1ccc(-c2ncccn2)c(c1)C(=O)N1CC2CC(Nc3ccc(cn3)C(F)(F)F)C1C2
Show InChI InChI=1S/C23H19F4N5O/c24-15-3-4-16(21-28-6-1-7-29-21)17(10-15)22(33)32-12-13-8-18(19(32)9-13)31-20-5-2-14(11-30-20)23(25,26)27/h1-7,10-11,13,18-19H,8-9,12H2,(H,30,31)
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Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM314894
PNG
((6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)((...)
Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CCC1C(C2)Oc1ccc(cn1)C(F)(F)F)-n1nccn1
Show InChI InChI=1S/C22H21F3N6O2/c1-13-2-5-17(31-27-8-9-28-31)20(29-13)21(32)30-12-14-3-6-16(30)18(10-14)33-19-7-4-15(11-26-19)22(23,24)25/h2,4-5,7-9,11,14,16,18H,3,6,10,12H2,1H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM314965
PNG
((3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...)
Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1
Show InChI InChI=1S/C21H18F4N6O/c22-15-3-1-2-14(19(15)31-27-6-7-28-31)20(32)30-11-12-8-16(17(30)9-12)29-18-5-4-13(10-26-18)21(23,24)25/h1-7,10,12,16-17H,8-9,11H2,(H,26,29)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM314969
PNG
((2-(pyrimidin-2-yl)phenyl)((1S,4S,6R)-6-((5-(trifl...)
Show SMILES FC(F)(F)c1ccc(NC2CC3CC2N(C3)C(=O)c2ccccc2-c2ncccn2)nc1
Show InChI InChI=1S/C23H20F3N5O/c24-23(25,26)15-6-7-20(29-12-15)30-18-10-14-11-19(18)31(13-14)22(32)17-5-2-1-4-16(17)21-27-8-3-9-28-21/h1-9,12,14,18-19H,10-11,13H2,(H,29,30)
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3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM315089
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4R,6R)-6-((5...)
Show SMILES Clc1ccc(OC2CC3CCC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/C21H20ClN5O2/c22-15-6-8-20(23-12-15)29-19-11-14-5-7-18(19)26(13-14)21(28)16-3-1-2-4-17(16)27-24-9-10-25-27/h1-4,6,8-10,12,14,18-19H,5,7,11,13H2
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3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM143755
PNG
(US10183953, Example 35 | US8969352, 16 | US8969352...)
Show SMILES Fc1cccc(C(=O)N2CC3CC(Oc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1
Show InChI InChI=1S/C21H17F4N5O2/c22-15-3-1-2-14(19(15)30-27-6-7-28-30)20(31)29-11-12-8-16(29)17(9-12)32-18-5-4-13(10-26-18)21(23,24)25/h1-7,10,12,16-17H,8-9,11H2
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3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM314976
PNG
((5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...)
Show SMILES CN(C1CC2CC1N(C2)C(=O)c1cc(F)ccc1-n1nccn1)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C22H20F4N6O/c1-30(20-5-2-14(11-27-20)22(24,25)26)18-8-13-9-19(18)31(12-13)21(33)16-10-15(23)3-4-17(16)32-28-6-7-29-32/h2-7,10-11,13,18-19H,8-9,12H2,1H3
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3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM314996
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-((3...)
Show SMILES Fc1cc(cnc1NC1CC2CC1N(C2)C(=O)c1ccccc1-n1nccn1)C(F)(F)F
Show InChI InChI=1S/C21H18F4N6O/c22-15-9-13(21(23,24)25)10-26-19(15)29-16-7-12-8-18(16)30(11-12)20(32)14-3-1-2-4-17(14)31-27-5-6-28-31/h1-6,9-10,12,16,18H,7-8,11H2,(H,26,29)
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3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM143756
PNG
(US10183953, Example 17 | US8969352, 17 | US9611277...)
Show SMILES Cc1cccc(C(=O)N2CC3CC(Oc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1
Show InChI InChI=1S/C22H20F3N5O2/c1-13-3-2-4-16(20(13)30-27-7-8-28-30)21(31)29-12-14-9-17(29)18(10-14)32-19-6-5-15(11-26-19)22(23,24)25/h2-8,11,14,17-18H,9-10,12H2,1H3
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3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM143792
PNG
(US10183953, Example 53 | US8969352, 53 | US9611277...)
Show SMILES FC(F)(F)c1ccc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/C21H19F3N6O/c22-21(23,24)14-5-6-19(25-11-14)28-16-9-13-10-18(16)29(12-13)20(31)15-3-1-2-4-17(15)30-26-7-8-27-30/h1-8,11,13,16,18H,9-10,12H2,(H,25,28)
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3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM314974
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-(me...)
Show SMILES CN(C1CC2CC1N(C2)C(=O)c1ccccc1-n1nccn1)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N6O/c1-29(20-7-6-15(12-26-20)22(23,24)25)18-10-14-11-19(18)30(13-14)21(32)16-4-2-3-5-17(16)31-27-8-9-28-31/h2-9,12,14,18-19H,10-11,13H2,1H3
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3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM314988
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-((5...)
Show SMILES Clc1ccc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/C20H19ClN6O/c21-14-5-6-19(22-11-14)25-16-9-13-10-18(16)26(12-13)20(28)15-3-1-2-4-17(15)27-23-7-8-24-27/h1-8,11,13,16,18H,9-10,12H2,(H,22,25)
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3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM315001
PNG
(((1S,4S,6R)-6-(benzo[d]oxazol-2-ylamino)-2-azabicy...)
Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4nc5ccccc5o4)C2C3)c1-n1nccn1
Show InChI InChI=1S/C22H19FN6O2/c23-15-5-3-4-14(20(15)29-24-8-9-25-29)21(30)28-12-13-10-17(18(28)11-13)27-22-26-16-6-1-2-7-19(16)31-22/h1-9,13,17-18H,10-12H2,(H,26,27)
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3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM143755
PNG
(US10183953, Example 35 | US8969352, 16 | US8969352...)
Show SMILES Fc1cccc(C(=O)N2CC3CC(Oc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1
Show InChI InChI=1S/C21H17F4N5O2/c22-15-3-1-2-14(19(15)30-27-6-7-28-30)20(31)29-11-12-8-16(29)17(9-12)32-18-5-4-13(10-26-18)21(23,24)25/h1-7,10,12,16-17H,8-9,11H2
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3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM314967
PNG
((2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...)
Show SMILES Fc1cccc(c1C(=O)N1CC2CC(Nc3ccc(cn3)C(F)(F)F)C1C2)-n1nccn1
Show InChI InChI=1S/C21H18F4N6O/c22-14-2-1-3-16(31-27-6-7-28-31)19(14)20(32)30-11-12-8-15(17(30)9-12)29-18-5-4-13(10-26-18)21(23,24)25/h1-7,10,12,15,17H,8-9,11H2,(H,26,29)
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3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM143794
PNG
(US10183953, Example 55 | US8969352, 55 | US9611277...)
Show SMILES Cc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1
Show InChI InChI=1S/C22H21F3N6O/c1-13-3-2-4-16(20(13)31-27-7-8-28-31)21(32)30-12-14-9-17(18(30)10-14)29-19-6-5-15(11-26-19)22(23,24)25/h2-8,11,14,17-18H,9-10,12H2,1H3,(H,26,29)
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3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM143792
PNG
(US10183953, Example 53 | US8969352, 53 | US9611277...)
Show SMILES FC(F)(F)c1ccc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/C21H19F3N6O/c22-21(23,24)14-5-6-19(25-11-14)28-16-9-13-10-18(16)29(12-13)20(31)15-3-1-2-4-17(15)30-26-7-8-27-30/h1-8,11,13,16,18H,9-10,12H2,(H,25,28)
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3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM314927
PNG
(((1S,4R,6R)-6-((5-bromopyridin-2-yl)oxy)-2-azabicy...)
Show SMILES Fc1cccc(C(=O)N2CC3CC(Oc4ccc(Br)cn4)C2C3)c1-n1nccn1
Show InChI InChI=1S/C20H17BrFN5O2/c21-13-4-5-18(23-10-13)29-17-9-12-8-16(17)26(11-12)20(28)14-2-1-3-15(22)19(14)27-24-6-7-25-27/h1-7,10,12,16-17H,8-9,11H2
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3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM314974
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-(me...)
Show SMILES CN(C1CC2CC1N(C2)C(=O)c1ccccc1-n1nccn1)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N6O/c1-29(20-7-6-15(12-26-20)22(23,24)25)18-10-14-11-19(18)30(13-14)21(32)16-4-2-3-5-17(16)31-27-8-9-28-31/h2-9,12,14,18-19H,10-11,13H2,1H3
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3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM143794
PNG
(US10183953, Example 55 | US8969352, 55 | US9611277...)
Show SMILES Cc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1
Show InChI InChI=1S/C22H21F3N6O/c1-13-3-2-4-16(20(13)31-27-7-8-28-31)21(32)30-12-14-9-17(18(30)10-14)29-19-6-5-15(11-26-19)22(23,24)25/h2-8,11,14,17-18H,9-10,12H2,1H3,(H,26,29)
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3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM143794
PNG
(US10183953, Example 55 | US8969352, 55 | US9611277...)
Show SMILES Cc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1
Show InChI InChI=1S/C22H21F3N6O/c1-13-3-2-4-16(20(13)31-27-7-8-28-31)21(32)30-12-14-9-17(18(30)10-14)29-19-6-5-15(11-26-19)22(23,24)25/h2-8,11,14,17-18H,9-10,12H2,1H3,(H,26,29)
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3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM143750
PNG
(US10183953, Example 86 | US8969352, 11 | US8969352...)
Show SMILES Fc1cccc(C(=O)N2CC3CC(Oc4ccc(cn4)C(F)(F)F)C2C3)c1-c1ncccn1
Show InChI InChI=1S/C23H18F4N4O2/c24-16-4-1-3-15(20(16)21-28-7-2-8-29-21)22(32)31-12-13-9-17(31)18(10-13)33-19-6-5-14(11-30-19)23(25,26)27/h1-8,11,13,17-18H,9-10,12H2
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4n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM143792
PNG
(US10183953, Example 53 | US8969352, 53 | US9611277...)
Show SMILES FC(F)(F)c1ccc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/C21H19F3N6O/c22-21(23,24)14-5-6-19(25-11-14)28-16-9-13-10-18(16)29(12-13)20(31)15-3-1-2-4-17(15)30-26-7-8-27-30/h1-8,11,13,16,18H,9-10,12H2,(H,25,28)
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4n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM314894
PNG
((6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)((...)
Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CCC1C(C2)Oc1ccc(cn1)C(F)(F)F)-n1nccn1
Show InChI InChI=1S/C22H21F3N6O2/c1-13-2-5-17(31-27-8-9-28-31)20(29-13)21(32)30-12-14-3-6-16(30)18(10-14)33-19-7-4-15(11-26-19)22(23,24)25/h2,4-5,7-9,11,14,16,18H,3,6,10,12H2,1H3
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4n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM315015
PNG
((3-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...)
Show SMILES Cc1cccc(C(=O)N2CC3CC(Nc4cnc(cn4)C(F)(F)F)C2C3)c1-n1nccn1
Show InChI InChI=1S/C21H20F3N7O/c1-12-3-2-4-14(19(12)31-27-5-6-28-31)20(32)30-11-13-7-15(16(30)8-13)29-18-10-25-17(9-26-18)21(22,23)24/h2-6,9-10,13,15-16H,7-8,11H2,1H3,(H,26,29)
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4n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM315099
PNG
((2-(pyrimidin-2-yl)phenyl)((1S,4R,6R)-6-((5-(trifl...)
Show SMILES FC(F)(F)c1cnc(NC2CC3CCC2N(C3)C(=O)c2ccccc2-c2ncccn2)cn1
Show InChI InChI=1S/C23H21F3N6O/c24-23(25,26)19-11-30-20(12-29-19)31-17-10-14-6-7-18(17)32(13-14)22(33)16-5-2-1-4-15(16)21-27-8-3-9-28-21/h1-5,8-9,11-12,14,17-18H,6-7,10,13H2,(H,30,31)
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4n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM314985
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-((5...)
Show SMILES Brc1ccc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/C20H19BrN6O/c21-14-5-6-19(22-11-14)25-16-9-13-10-18(16)26(12-13)20(28)15-3-1-2-4-17(15)27-23-7-8-24-27/h1-8,11,13,16,18H,9-10,12H2,(H,22,25)
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4n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM314988
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-((5...)
Show SMILES Clc1ccc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/C20H19ClN6O/c21-14-5-6-19(22-11-14)25-16-9-13-10-18(16)26(12-13)20(28)15-3-1-2-4-17(15)27-23-7-8-24-27/h1-8,11,13,16,18H,9-10,12H2,(H,22,25)
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4n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM314989
PNG
(((1S,4S,6R)-6-((5-chloropyridin-2-yl)amino)-2-azab...)
Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4ccc(Cl)cn4)C2C3)c1-c1ncccn1
Show InChI InChI=1S/C22H19ClFN5O/c23-14-5-6-19(27-11-14)28-17-9-13-10-18(17)29(12-13)22(30)15-3-1-4-16(24)20(15)21-25-7-2-8-26-21/h1-8,11,13,17-18H,9-10,12H2,(H,27,28)
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4n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM143787
PNG
(US10183953, Example 48 | US8969352, 48 | US9611277...)
Show SMILES Fc1cccc(C(=O)N2CC3CC(Oc4ccc(Br)cn4)C2C3)c1-c1ncccn1
Show InChI InChI=1S/C22H18BrFN4O2/c23-14-5-6-19(27-11-14)30-18-10-13-9-17(18)28(12-13)22(29)15-3-1-4-16(24)20(15)21-25-7-2-8-26-21/h1-8,11,13,17-18H,9-10,12H2
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US Patent
4n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM314987
PNG
(((1S,4S,6R)-6-((5-bromopyridin-2-yl)amino)-2-azabi...)
Show SMILES Fc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Nc3ccc(Br)cn3)C1C2
Show InChI InChI=1S/C22H19BrFN5O/c23-14-5-6-19(27-11-14)28-17-9-13-10-18(17)29(12-13)22(30)20-15(3-1-4-16(20)24)21-25-7-2-8-26-21/h1-8,11,13,17-18H,9-10,12H2,(H,27,28)
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4n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM315088
PNG
(((1S,4R,6R)-6-((5-bromopyridin-2-yl)oxy)-2-azabicy...)
Show SMILES Fc1cccc(C(=O)N2CC3CCC2C(C3)Oc2ccc(Br)cn2)c1-c1ncccn1
Show InChI InChI=1S/C23H20BrFN4O2/c24-15-6-8-20(28-12-15)31-19-11-14-5-7-18(19)29(13-14)23(30)16-3-1-4-17(25)21(16)22-26-9-2-10-27-22/h1-4,6,8-10,12,14,18-19H,5,7,11,13H2
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4n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM315001
PNG
(((1S,4S,6R)-6-(benzo[d]oxazol-2-ylamino)-2-azabicy...)
Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4nc5ccccc5o4)C2C3)c1-n1nccn1
Show InChI InChI=1S/C22H19FN6O2/c23-15-5-3-4-14(20(15)29-24-8-9-25-29)21(30)28-12-13-10-17(18(28)11-13)27-22-26-16-6-1-2-7-19(16)31-22/h1-9,13,17-18H,10-12H2,(H,26,27)
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4n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM315049
PNG
((2-(pyrimidin-2-yl)phenyl)((1S,4S,6R)-6-((5-(trifl...)
Show SMILES FC(F)(F)c1cnc(NC2CC3CC2N(C3)C(=O)c2ccccc2-c2ncccn2)nc1
Show InChI InChI=1S/C22H19F3N6O/c23-22(24,25)14-10-28-21(29-11-14)30-17-8-13-9-18(17)31(12-13)20(32)16-5-2-1-4-15(16)19-26-6-3-7-27-19/h1-7,10-11,13,17-18H,8-9,12H2,(H,28,29,30)
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4n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM314927
PNG
(((1S,4R,6R)-6-((5-bromopyridin-2-yl)oxy)-2-azabicy...)
Show SMILES Fc1cccc(C(=O)N2CC3CC(Oc4ccc(Br)cn4)C2C3)c1-n1nccn1
Show InChI InChI=1S/C20H17BrFN5O2/c21-13-4-5-18(23-10-13)29-17-9-12-8-16(17)26(11-12)20(28)14-2-1-3-15(22)19(14)27-24-6-7-25-27/h1-7,10,12,16-17H,8-9,11H2
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4n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)

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