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Patent code US9611262

Compile Data Set for Download or QSAR

Found 489 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))
BDBM314653
PNG
((6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)((...)
Show SMILES CC1C2CC(Oc3cnc4ccccc4c3)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1
Show InChI InChI=1S/C25H24N6O2/c1-15-7-8-21(31-27-9-10-28-31)24(29-15)25(32)30-16(2)18-12-22(30)23(13-18)33-19-11-17-5-3-4-6-20(17)26-14-19/h3-11,14,16,18,22-23H,12-13H2,1-2H3
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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 US9611262 (2017)

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


(Homo sapiens (Human))
BDBM314652
PNG
((3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S*,3R...)
Show SMILES CC1C2CC(Oc3cnc4ccccc4n3)C(C2)N1C(=O)c1cccc(F)c1-n1nccn1
Show InChI InChI=1S/C24H21FN6O2/c1-14-15-11-20(21(12-15)33-22-13-26-18-7-2-3-8-19(18)29-22)30(14)24(32)16-5-4-6-17(25)23(16)31-27-9-10-28-31/h2-10,13-15,20-21H,11-12H2,1H3
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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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314629
PNG
(US9611262, Example 163 | [(1R,2R,4S,5R)-2-deuterio...)
Show SMILES CC1C2CC(Oc3ccc(C)cn3)C(C2)N1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H23N5O2/c1-14-7-8-21(23-13-14)29-20-12-16-11-19(20)26(15(16)2)22(28)17-5-3-4-6-18(17)27-24-9-10-25-27/h3-10,13,15-16,19-20H,11-12H2,1-2H3
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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 US9611262 (2017)

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


(Homo sapiens (Human))
BDBM314618
PNG
(US9611262, Example 122 | US9611262, Example 196 | ...)
Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1
Show InChI InChI=1S/C21H21ClN6O2/c1-12-3-5-16(28-24-7-8-25-28)20(26-12)21(29)27-13(2)14-9-17(27)18(10-14)30-19-6-4-15(22)11-23-19/h3-8,11,13-14,17-18H,9-10H2,1-2H3
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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 US9611262 (2017)

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


(Homo sapiens (Human))
BDBM314681
PNG
((R/S)-[2-ethyl-5-[[5-(trifluoromethyl)-2-pyridyl]o...)
Show SMILES CCC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H22F3N5O2/c1-2-17-14-11-19(20(12-14)33-21-8-7-15(13-27-21)23(24,25)26)30(17)22(32)16-5-3-4-6-18(16)31-28-9-10-29-31/h3-10,13-14,17,19-20H,2,11-12H2,1H3
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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 US9611262 (2017)

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


(Homo sapiens (Human))
BDBM314436
PNG
((R/S)-(3-methyl-6-((5-(trifluoromethyl)pyridin-2-y...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-c1ncccn1
Show InChI InChI=1S/C24H21F3N4O2/c1-14-15-11-19(20(12-15)33-21-8-7-16(13-30-21)24(25,26)27)31(14)23(32)18-6-3-2-5-17(18)22-28-9-4-10-29-22/h2-10,13-15,19-20H,11-12H2,1H3
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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 US9611262 (2017)

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


(Homo sapiens (Human))
BDBM314617
PNG
(US9611262, Example 121 | US9611262, Example 195 | ...)
Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H20ClN5O2/c1-13-14-10-18(19(11-14)29-20-7-6-15(22)12-23-20)26(13)21(28)16-4-2-3-5-17(16)27-24-8-9-25-27/h2-9,12-14,18-19H,10-11H2,1H3
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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 US9611262 (2017)

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


(Homo sapiens (Human))
BDBM314665
PNG
(US9611262, Example 197 | [(1R,3R,4S,6R)-3-[(5-chlo...)
Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1cccc(F)c1-n1nccn1
Show InChI InChI=1S/C21H19ClFN5O2/c1-12-13-9-17(18(10-13)30-19-6-5-14(22)11-24-19)27(12)21(29)15-3-2-4-16(23)20(15)28-25-7-8-26-28/h2-8,11-13,17-18H,9-10H2,1H3
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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 US9611262 (2017)

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


(Homo sapiens (Human))
BDBM314503
PNG
((3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S*,3R...)
Show SMILES CC1C2CC(Nc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1cccc(F)c1-n1nccn1
Show InChI InChI=1S/C22H20F4N6O/c1-12-13-9-17(30-19-6-5-14(11-27-19)22(24,25)26)18(10-13)31(12)21(33)15-3-2-4-16(23)20(15)32-28-7-8-29-32/h2-8,11-13,17-18H,9-10H2,1H3,(H,27,30)
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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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314617
PNG
(US9611262, Example 121 | US9611262, Example 195 | ...)
Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H20ClN5O2/c1-13-14-10-18(19(11-14)29-20-7-6-15(22)12-23-20)26(13)21(28)16-4-2-3-5-17(16)27-24-8-9-25-27/h2-9,12-14,18-19H,10-11H2,1H3
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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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314503
PNG
((3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S*,3R...)
Show SMILES CC1C2CC(Nc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1cccc(F)c1-n1nccn1
Show InChI InChI=1S/C22H20F4N6O/c1-12-13-9-17(30-19-6-5-14(11-27-19)22(24,25)26)18(10-13)31(12)21(33)15-3-2-4-16(23)20(15)32-28-7-8-29-32/h2-8,11-13,17-18H,9-10H2,1H3,(H,27,30)
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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 US9611262 (2017)

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


(Homo sapiens (Human))
BDBM314653
PNG
((6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)((...)
Show SMILES CC1C2CC(Oc3cnc4ccccc4c3)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1
Show InChI InChI=1S/C25H24N6O2/c1-15-7-8-21(31-27-9-10-28-31)24(29-15)25(32)30-16(2)18-12-22(30)23(13-18)33-19-11-17-5-3-4-6-20(17)26-14-19/h3-11,14,16,18,22-23H,12-13H2,1-2H3
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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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314443
PNG
((R/S)-(5-fluoro-2-(pyrimidin-2-yl)phenyl)(−3...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1cc(F)ccc1-c1ncccn1
Show InChI InChI=1S/C24H20F4N4O2/c1-13-14-9-19(20(10-14)34-21-6-3-15(12-31-21)24(26,27)28)32(13)23(33)18-11-16(25)4-5-17(18)22-29-7-2-8-30-22/h2-8,11-14,19-20H,9-10H2,1H3
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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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314496
PNG
((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...)
Show SMILES CC1C2CC(Nc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1
Show InChI InChI=1S/C22H22F3N7O/c1-12-3-5-17(32-27-7-8-28-32)20(29-12)21(33)31-13(2)14-9-16(18(31)10-14)30-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,16,18H,9-10H2,1-2H3,(H,26,30)
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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 US9611262 (2017)

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


(Homo sapiens (Human))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314618
PNG
(US9611262, Example 122 | US9611262, Example 196 | ...)
Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1
Show InChI InChI=1S/C21H21ClN6O2/c1-12-3-5-16(28-24-7-8-25-28)20(26-12)21(29)27-13(2)14-9-17(27)18(10-14)30-19-6-4-15(22)11-23-19/h3-8,11,13-14,17-18H,9-10H2,1-2H3
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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 US9611262 (2017)

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


(Homo sapiens (Human))
BDBM314618
PNG
(US9611262, Example 122 | US9611262, Example 196 | ...)
Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1
Show InChI InChI=1S/C21H21ClN6O2/c1-12-3-5-16(28-24-7-8-25-28)20(26-12)21(29)27-13(2)14-9-17(27)18(10-14)30-19-6-4-15(22)11-23-19/h3-8,11,13-14,17-18H,9-10H2,1-2H3
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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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314639
PNG
(US9611262, Example 173 | [2-(6-fluoro-2-pyridyl)ph...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-c1cccc(F)n1
Show InChI InChI=1S/C25H21F4N3O2/c1-14-15-11-20(21(12-15)34-23-10-9-16(13-30-23)25(27,28)29)32(14)24(33)18-6-3-2-5-17(18)19-7-4-8-22(26)31-19/h2-10,13-15,20-21H,11-12H2,1H3
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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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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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 US9611262 (2017)

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


(Homo sapiens (Human))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314502
PNG
((3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)((1S*,3R*,4...)
Show SMILES CC1C2CC(Nc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ncccc1-n1nccn1
Show InChI InChI=1S/C21H20F3N7O/c1-12-13-9-15(29-18-5-4-14(11-26-18)21(22,23)24)17(10-13)30(12)20(32)19-16(3-2-6-25-19)31-27-7-8-28-31/h2-8,11-13,15,17H,9-10H2,1H3,(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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314422
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Nc3cnc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H20F3N7O/c1-12-13-8-15(29-19-11-25-18(10-26-19)21(22,23)24)17(9-13)30(12)20(32)14-4-2-3-5-16(14)31-27-6-7-28-31/h2-7,10-13,15,17H,8-9H2,1H3,(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 US9611262 (2017)

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


(Homo sapiens (Human))
BDBM314440
PNG
((R/S)-(4-fluoro-2-(pyrimidin-2-yl)phenyl)(−3...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccc(F)cc1-c1ncccn1
Show InChI InChI=1S/C24H20F4N4O2/c1-13-14-9-19(20(10-14)34-21-6-3-15(12-31-21)24(26,27)28)32(13)23(33)17-5-4-16(25)11-18(17)22-29-7-2-8-30-22/h2-8,11-14,19-20H,9-10H2,1H3
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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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314652
PNG
((3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S*,3R...)
Show SMILES CC1C2CC(Oc3cnc4ccccc4n3)C(C2)N1C(=O)c1cccc(F)c1-n1nccn1
Show InChI InChI=1S/C24H21FN6O2/c1-14-15-11-20(21(12-15)33-22-13-26-18-7-2-3-8-19(18)29-22)30(14)24(32)16-5-4-6-17(25)23(16)31-27-9-10-28-31/h2-10,13-15,20-21H,11-12H2,1H3
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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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314687
PNG
((2-(pyrimidin-2-yl)phenyl)((1S,3R,4R,6R)-3-methyl-...)
Show SMILES CC1C2CC(Oc3ccc(c(F)n3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-c1ncccn1
Show InChI InChI=1S/C24H20F4N4O2/c1-13-14-11-18(19(12-14)34-20-8-7-17(21(25)31-20)24(26,27)28)32(13)23(33)16-6-3-2-5-15(16)22-29-9-4-10-30-22/h2-10,13-14,18-19H,11-12H2,1H3
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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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314470
PNG
((5-methyl-3-(pyrimidin-2-yl)pyridin-2-yl)((1S*,3R*...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ncc(C)cc1-c1ncccn1
Show InChI InChI=1S/C24H22F3N5O2/c1-13-8-17(22-28-6-3-7-29-22)21(31-11-13)23(33)32-14(2)15-9-18(32)19(10-15)34-20-5-4-16(12-30-20)24(25,26)27/h3-8,11-12,14-15,18-19H,9-10H2,1-2H3
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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 US9611262 (2017)

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


(Homo sapiens (Human))
BDBM314617
PNG
(US9611262, Example 121 | US9611262, Example 195 | ...)
Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H20ClN5O2/c1-13-14-10-18(19(11-14)29-20-7-6-15(22)12-23-20)26(13)21(28)16-4-2-3-5-17(16)27-24-8-9-25-27/h2-9,12-14,18-19H,10-11H2,1H3
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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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314449
PNG
((R/S)-(3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl)(...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1cccc(F)c1-c1ncc(F)cn1
Show InChI InChI=1S/C24H19F5N4O2/c1-12-13-7-18(19(8-13)35-20-6-5-14(9-30-20)24(27,28)29)33(12)23(34)16-3-2-4-17(26)21(16)22-31-10-15(25)11-32-22/h2-6,9-13,18-19H,7-8H2,1H3
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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 US9611262 (2017)

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


(Homo sapiens (Human))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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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 US9611262 (2017)

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


(Homo sapiens (Human))
BDBM314502
PNG
((3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)((1S*,3R*,4...)
Show SMILES CC1C2CC(Nc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ncccc1-n1nccn1
Show InChI InChI=1S/C21H20F3N7O/c1-12-13-9-15(29-18-5-4-14(11-26-18)21(22,23)24)17(10-13)30(12)20(32)19-16(3-2-6-25-19)31-27-7-8-28-31/h2-8,11-13,15,17H,9-10H2,1H3,(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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314618
PNG
(US9611262, Example 122 | US9611262, Example 196 | ...)
Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1
Show InChI InChI=1S/C21H21ClN6O2/c1-12-3-5-16(28-24-7-8-25-28)20(26-12)21(29)27-13(2)14-9-17(27)18(10-14)30-19-6-4-15(22)11-23-19/h3-8,11,13-14,17-18H,9-10H2,1-2H3
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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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314440
PNG
((R/S)-(4-fluoro-2-(pyrimidin-2-yl)phenyl)(−3...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccc(F)cc1-c1ncccn1
Show InChI InChI=1S/C24H20F4N4O2/c1-13-14-9-19(20(10-14)34-21-6-3-15(12-31-21)24(26,27)28)32(13)23(33)17-5-4-16(25)11-18(17)22-29-7-2-8-30-22/h2-8,11-14,19-20H,9-10H2,1H3
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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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314465
PNG
((2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl)((1S*,3R...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C22H19F4N5O2/c1-12-13-9-17(18(10-13)33-19-6-5-14(11-27-19)22(24,25)26)30(12)21(32)20-15(23)3-2-4-16(20)31-28-7-8-29-31/h2-8,11-13,17-18H,9-10H2,1H3
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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 US9611262 (2017)

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


(Homo sapiens (Human))
BDBM314496
PNG
((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...)
Show SMILES CC1C2CC(Nc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1
Show InChI InChI=1S/C22H22F3N7O/c1-12-3-5-17(32-27-7-8-28-32)20(29-12)21(33)31-13(2)14-9-16(18(31)10-14)30-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,16,18H,9-10H2,1-2H3,(H,26,30)
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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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314665
PNG
(US9611262, Example 197 | [(1R,3R,4S,6R)-3-[(5-chlo...)
Show SMILES CC1C2CC(Oc3ccc(Cl)cn3)C(C2)N1C(=O)c1cccc(F)c1-n1nccn1
Show InChI InChI=1S/C21H19ClFN5O2/c1-12-13-9-17(18(10-13)30-19-6-5-14(22)11-24-19)27(12)21(29)15-3-2-4-16(23)20(15)28-25-7-8-26-28/h2-8,11-13,17-18H,9-10H2,1H3
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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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314681
PNG
((R/S)-[2-ethyl-5-[[5-(trifluoromethyl)-2-pyridyl]o...)
Show SMILES CCC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H22F3N5O2/c1-2-17-14-11-19(20(12-14)33-21-8-7-15(13-27-21)23(24,25)26)30(17)22(32)16-5-3-4-6-18(16)31-28-9-10-29-31/h3-10,13-14,17,19-20H,2,11-12H2,1H3
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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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314436
PNG
((R/S)-(3-methyl-6-((5-(trifluoromethyl)pyridin-2-y...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-c1ncccn1
Show InChI InChI=1S/C24H21F3N4O2/c1-14-15-11-19(20(12-15)33-21-8-7-16(13-30-21)24(25,26)27)31(14)23(32)18-6-3-2-5-17(18)22-28-9-4-10-29-22/h2-10,13-15,19-20H,11-12H2,1H3
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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 US9611262 (2017)

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


(Homo sapiens (Human))
BDBM314500
PNG
(((1S*,3R*,4S*,6R*)-3-methyl-6-((5-(trifluoromethyl...)
Show SMILES CC1C2CC(Nc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ncccc1-c1ncccn1
Show InChI InChI=1S/C23H21F3N6O/c1-13-14-10-17(31-19-6-5-15(12-30-19)23(24,25)26)18(11-14)32(13)22(33)20-16(4-2-7-27-20)21-28-8-3-9-29-21/h2-9,12-14,17-18H,10-11H2,1H3,(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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314627
PNG
((5-methyl-3-pyrimidin-2-yl-2-pyridyl)-[(1R,2R,4S,5...)
Show SMILES CC1C2CCC(C(C2)Oc2ccc(cn2)C(F)(F)F)N1C(=O)c1ncc(C)cc1-c1ncccn1
Show InChI InChI=1S/C25H24F3N5O2/c1-14-10-18(23-29-8-3-9-30-23)22(32-12-14)24(34)33-15(2)16-4-6-19(33)20(11-16)35-21-7-5-17(13-31-21)25(26,27)28/h3,5,7-10,12-13,15-16,19-20H,4,6,11H2,1-2H3
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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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314432
PNG
((R/S)-(5-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ncc(C)cc1-n1nccn1
Show InChI InChI=1S/C22H21F3N6O2/c1-12-7-17(31-28-5-6-29-31)20(27-10-12)21(32)30-13(2)14-8-16(30)18(9-14)33-19-4-3-15(11-26-19)22(23,24)25/h3-7,10-11,13-14,16,18H,8-9H2,1-2H3
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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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314443
PNG
((R/S)-(5-fluoro-2-(pyrimidin-2-yl)phenyl)(−3...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1cc(F)ccc1-c1ncccn1
Show InChI InChI=1S/C24H20F4N4O2/c1-13-14-9-19(20(10-14)34-21-6-3-15(12-31-21)24(26,27)28)32(13)23(33)18-11-16(25)4-5-17(18)22-29-7-2-8-30-22/h2-8,11-14,19-20H,9-10H2,1H3
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4.80n/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 US9611262 (2017)

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


(Rattus norvegicus (Rat))
BDBM314464
PNG
((5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S*,3R...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1S/C22H19F4N5O2/c1-12-13-8-18(19(9-13)33-20-5-2-14(11-27-20)22(24,25)26)30(12)21(32)16-10-15(23)3-4-17(16)31-28-6-7-29-31/h2-7,10-13,18-19H,8-9H2,1H3
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5n/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 US9611262 (2017)

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


(Homo sapiens (Human))
BDBM314462
PNG
((3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S*,3R...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1cccc(F)c1-n1nccn1
Show InChI InChI=1S/C22H19F4N5O2/c1-12-13-9-17(18(10-13)33-19-6-5-14(11-27-19)22(24,25)26)30(12)21(32)15-3-2-4-16(23)20(15)31-28-7-8-29-31/h2-8,11-13,17-18H,9-10H2,1H3
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5n/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 US9611262 (2017)

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


(Homo sapiens (Human))
BDBM314418
PNG
((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1
Show InChI InChI=1S/C22H21F3N6O2/c1-12-3-5-16(31-27-7-8-28-31)20(29-12)21(32)30-13(2)14-9-17(30)18(10-14)33-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,17-18H,9-10H2,1-2H3
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5n/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 US9611262 (2017)

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


(Homo sapiens (Human))
BDBM314422
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Nc3cnc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H20F3N7O/c1-12-13-8-15(29-19-11-25-18(10-26-19)21(22,23)24)17(9-13)30(12)20(32)14-4-2-3-5-16(14)31-27-6-7-28-31/h2-7,10-13,15,17H,8-9H2,1H3,(H,26,29)
PDB

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5n/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 US9611262 (2017)

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


(Homo sapiens (Human))
BDBM314616
PNG
(US9611262, Example 110 | [(1R,2R,4S,5R)-5-[[5-(dif...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1
Show InChI InChI=1S/C22H22F2N6O2/c1-12-3-5-16(30-26-7-8-27-30)20(28-12)22(31)29-13(2)15-9-17(29)18(10-15)32-19-6-4-14(11-25-19)21(23)24/h3-8,11,13,15,17-18,21H,9-10H2,1-2H3
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5n/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 US9611262 (2017)

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


(Homo sapiens (Human))
BDBM314651
PNG
((6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)((...)
Show SMILES CC1C2CC(Oc3cnc4ccccc4n3)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1
Show InChI InChI=1S/C24H23N7O2/c1-14-7-8-19(31-26-9-10-27-31)23(28-14)24(32)30-15(2)16-11-20(30)21(12-16)33-22-13-25-17-5-3-4-6-18(17)29-22/h3-10,13,15-16,20-21H,11-12H2,1-2H3
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5n/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 US9611262 (2017)

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


(Homo sapiens (Human))
BDBM314418
PNG
((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1
Show InChI InChI=1S/C22H21F3N6O2/c1-12-3-5-16(31-27-7-8-28-31)20(29-12)21(32)30-13(2)14-9-17(30)18(10-14)33-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,17-18H,9-10H2,1-2H3
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5n/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 US9611262 (2017)

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