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USPatent US9637496

Compile Data Set for Download or QSAR

Found 1033 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/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM163876
PNG
(US9062078, 10A | US9062078, 10B | US9062078, 9 | U...)
Show SMILES Cc1ccc(c(c1)C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1 |TLB:15:14:12.11:9|
Show InChI InChI=1S/C22H22FN5O2/c1-14-2-5-20(28-25-8-9-26-28)18(10-14)22(29)27-17-4-6-19(27)15(11-17)13-30-21-7-3-16(23)12-24-21/h2-3,5,7-10,12,15,17,19H,4,6,11,13H2,1H3
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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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM163879
PNG
(US9062078, 11 | US9062078, 12A | US9062078, 12B | ...)
Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)nc1 |THB:6:7:11.10:13|
Show InChI InChI=1S/C23H21FN2O2S/c24-16-7-10-22(25-13-16)28-14-15-12-17-8-9-20(15)26(17)23(27)19-5-2-1-4-18(19)21-6-3-11-29-21/h1-7,10-11,13,15,17,20H,8-9,12,14H2
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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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM326641
PNG
(((1S,2R,4R)-2-((5-bromopyrazin-2-yl)amino)-7-azabi...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2cnc(Br)cn2)c1-c1ncco1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C21H20BrN5O2/c1-12-3-2-4-14(19(12)20-23-7-8-29-20)21(28)27-13-5-6-16(27)15(9-13)26-18-11-24-17(22)10-25-18/h2-4,7-8,10-11,13,15-16H,5-6,9H2,1H3,(H,25,26)
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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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM326660
PNG
((3-chloro-2-(pyrimidin-2-yl)phenyl)((1S,2R,4R)-2-(...)
Show SMILES FC(F)(F)c1ccc(NC2CC3CCC2N3C(=O)c2cccc(Cl)c2-c2ncccn2)nc1 |THB:8:9:13.12:15|
Show InChI InChI=1S/C23H19ClF3N5O/c24-16-4-1-3-15(20(16)21-28-9-2-10-29-21)22(33)32-14-6-7-18(32)17(11-14)31-19-8-5-13(12-30-19)23(25,26)27/h1-5,8-10,12,14,17-18H,6-7,11H2,(H,30,31)
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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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM326640
PNG
(((1S,2R,4R)-2-((5-bromopyridin-2-yl)amino)-7-azabi...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2ccc(Br)cn2)c1-n1nccn1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C21H21BrN6O/c1-13-3-2-4-16(20(13)28-24-9-10-25-28)21(29)27-15-6-7-18(27)17(11-15)26-19-8-5-14(22)12-23-19/h2-5,8-10,12,15,17-18H,6-7,11H2,1H3,(H,23,26)
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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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM163876
PNG
(US9062078, 10A | US9062078, 10B | US9062078, 9 | U...)
Show SMILES Cc1ccc(c(c1)C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1 |TLB:15:14:12.11:9|
Show InChI InChI=1S/C22H22FN5O2/c1-14-2-5-20(28-25-8-9-26-28)18(10-14)22(29)27-17-4-6-19(27)15(11-17)13-30-21-7-3-16(23)12-24-21/h2-3,5,7-10,12,15,17,19H,4,6,11,13H2,1H3
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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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM326636
PNG
(((1S,2R,4R)-2-((5-bromopyridin-2-yl)amino)-7-azabi...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2ccc(Br)cn2)c1-c1ncco1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C22H21BrN4O2/c1-13-3-2-4-16(20(13)21-24-9-10-29-21)22(28)27-15-6-7-18(27)17(11-15)26-19-8-5-14(23)12-25-19/h2-5,8-10,12,15,17-18H,6-7,11H2,1H3,(H,25,26)
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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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM326636
PNG
(((1S,2R,4R)-2-((5-bromopyridin-2-yl)amino)-7-azabi...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2ccc(Br)cn2)c1-c1ncco1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C22H21BrN4O2/c1-13-3-2-4-16(20(13)21-24-9-10-29-21)22(28)27-15-6-7-18(27)17(11-15)26-19-8-5-14(23)12-25-19/h2-5,8-10,12,15,17-18H,6-7,11H2,1H3,(H,25,26)
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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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM164166
PNG
(US9062078, 296 | US9475819, 296 | US9637496, 296 |...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2ccc(cn2)C(F)(F)F)c1-c1ncco1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C23H21F3N4O2/c1-13-3-2-4-16(20(13)21-27-9-10-32-21)22(31)30-15-6-7-18(30)17(11-15)29-19-8-5-14(12-28-19)23(24,25)26/h2-5,8-10,12,15,17-18H,6-7,11H2,1H3,(H,28,29)
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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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM163879
PNG
(US9062078, 11 | US9062078, 12A | US9062078, 12B | ...)
Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)nc1 |THB:6:7:11.10:13|
Show InChI InChI=1S/C23H21FN2O2S/c24-16-7-10-22(25-13-16)28-14-15-12-17-8-9-20(15)26(17)23(27)19-5-2-1-4-18(19)21-6-3-11-29-21/h1-7,10-11,13,15,17,20H,8-9,12,14H2
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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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM164136
PNG
(US9062078, 266 | US9475819, 266 | US9637496, 409 |...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2cnc(cn2)C(F)(F)F)c1-c1ncco1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C22H20F3N5O2/c1-12-3-2-4-14(19(12)20-26-7-8-32-20)21(31)30-13-5-6-16(30)15(9-13)29-18-11-27-17(10-28-18)22(23,24)25/h2-4,7-8,10-11,13,15-16H,5-6,9H2,1H3,(H,28,29)
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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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM326641
PNG
(((1S,2R,4R)-2-((5-bromopyrazin-2-yl)amino)-7-azabi...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2cnc(Br)cn2)c1-c1ncco1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C21H20BrN5O2/c1-12-3-2-4-14(19(12)20-23-7-8-29-20)21(28)27-13-5-6-16(27)15(9-13)26-18-11-24-17(22)10-25-18/h2-4,7-8,10-11,13,15-16H,5-6,9H2,1H3,(H,25,26)
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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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM326645
PNG
(((1S,2R,4R)-2-((5-bromopyrazin-2-yl)amino)-7-azabi...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2cnc(Br)cn2)c1-n1nccn1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C20H20BrN7O/c1-12-3-2-4-14(19(12)28-24-7-8-25-28)20(29)27-13-5-6-16(27)15(9-13)26-18-11-22-17(21)10-23-18/h2-4,7-8,10-11,13,15-16H,5-6,9H2,1H3,(H,23,26)
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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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM326646
PNG
(((1S,2R,4R)-2-((5-bromopyrimidin-2-yl)amino)-7-aza...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2ncc(Br)cn2)c1-c1ncco1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C21H20BrN5O2/c1-12-3-2-4-15(18(12)19-23-7-8-29-19)20(28)27-14-5-6-17(27)16(9-14)26-21-24-10-13(22)11-25-21/h2-4,7-8,10-11,14,16-17H,5-6,9H2,1H3,(H,24,25,26)
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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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM164136
PNG
(US9062078, 266 | US9475819, 266 | US9637496, 409 |...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2cnc(cn2)C(F)(F)F)c1-c1ncco1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C22H20F3N5O2/c1-12-3-2-4-14(19(12)20-26-7-8-32-20)21(31)30-13-5-6-16(30)15(9-13)29-18-11-27-17(10-28-18)22(23,24)25/h2-4,7-8,10-11,13,15-16H,5-6,9H2,1H3,(H,28,29)
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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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM164166
PNG
(US9062078, 296 | US9475819, 296 | US9637496, 296 |...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2ccc(cn2)C(F)(F)F)c1-c1ncco1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C23H21F3N4O2/c1-13-3-2-4-16(20(13)21-27-9-10-32-21)22(31)30-15-6-7-18(30)17(11-15)29-19-8-5-14(12-28-19)23(24,25)26/h2-5,8-10,12,15,17-18H,6-7,11H2,1H3,(H,28,29)
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 6n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM326643
PNG
(((1S,2R,4R)-2-((5-bromopyrazin-2-yl)amino)-7-azabi...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2cnc(Br)cn2)c1-c1ncccn1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C22H21BrN6O/c1-13-4-2-5-15(20(13)21-24-8-3-9-25-21)22(30)29-14-6-7-17(29)16(10-14)28-19-12-26-18(23)11-27-19/h2-5,8-9,11-12,14,16-17H,6-7,10H2,1H3,(H,27,28)
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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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM164115
PNG
(US9062078, 245 | US9475819, 245 | US9637496, 245 |...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2cnc(cn2)C(F)(F)F)c1-n1nccn1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C21H20F3N7O/c1-12-3-2-4-14(19(12)31-27-7-8-28-31)20(32)30-13-5-6-16(30)15(9-13)29-18-11-25-17(10-26-18)21(22,23)24/h2-4,7-8,10-11,13,15-16H,5-6,9H2,1H3,(H,26,29)
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 7n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM163944
PNG
(US9062078, 75 | US9475819, 75 | US9637496, 75 | US...)
Show SMILES CCOc1ccc2cccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2 |TLB:21:20:18.17:15|
Show InChI InChI=1S/C24H25N3O3/c1-2-29-20-11-8-16-6-5-13-26-23(16)22(20)24(28)27-18-9-10-19(27)17(14-18)15-30-21-7-3-4-12-25-21/h3-8,11-13,17-19H,2,9-10,14-15H2,1H3
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 7n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM326634
PNG
((3-methyl-2-(pyrimidin-2-yl)phenyl)((1S,2R,4R)-2-(...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2ccc(cn2)C(F)(F)F)c1-c1ncccn1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C24H22F3N5O/c1-14-4-2-5-17(21(14)22-28-10-3-11-29-22)23(33)32-16-7-8-19(32)18(12-16)31-20-9-6-15(13-30-20)24(25,26)27/h2-6,9-11,13,16,18-19H,7-8,12H2,1H3,(H,30,31)
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 7n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM164136
PNG
(US9062078, 266 | US9475819, 266 | US9637496, 409 |...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2cnc(cn2)C(F)(F)F)c1-c1ncco1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C22H20F3N5O2/c1-12-3-2-4-14(19(12)20-26-7-8-32-20)21(31)30-13-5-6-16(30)15(9-13)29-18-11-27-17(10-28-18)22(23,24)25/h2-4,7-8,10-11,13,15-16H,5-6,9H2,1H3,(H,28,29)
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 7n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM163952
PNG
(US9062078, 164 | US9062078, 83 | US9475819, 83 | U...)
Show SMILES CCOc1ncc2ccccc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2 |TLB:21:20:18.17:15|
Show InChI InChI=1S/C24H25N3O3/c1-2-29-23-22(19-8-4-3-7-16(19)14-26-23)24(28)27-18-10-11-20(27)17(13-18)15-30-21-9-5-6-12-25-21/h3-9,12,14,17-18,20H,2,10-11,13,15H2,1H3
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 7n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM164136
PNG
(US9062078, 266 | US9475819, 266 | US9637496, 409 |...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2cnc(cn2)C(F)(F)F)c1-c1ncco1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C22H20F3N5O2/c1-12-3-2-4-14(19(12)20-26-7-8-32-20)21(31)30-13-5-6-16(30)15(9-13)29-18-11-27-17(10-28-18)22(23,24)25/h2-4,7-8,10-11,13,15-16H,5-6,9H2,1H3,(H,28,29)
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 7n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM164165
PNG
(US9062078, 295 | US9475819, 295 | US9637496, 295 |...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2ccc(cn2)C(F)(F)F)c1-n1nccn1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C22H21F3N6O/c1-13-3-2-4-16(20(13)31-27-9-10-28-31)21(32)30-15-6-7-18(30)17(11-15)29-19-8-5-14(12-26-19)22(23,24)25/h2-5,8-10,12,15,17-18H,6-7,11H2,1H3,(H,26,29)
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 8n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM164062
PNG
(US9062078, 192 | US9062078, 279 | US9475819, 192 |...)
Show SMILES Fc1cccc(C(=O)N2C3CCC2C(C3)Nc2ccc(cn2)C(F)(F)F)c1-c1ncccn1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C23H19F4N5O/c24-16-4-1-3-15(20(16)21-28-9-2-10-29-21)22(33)32-14-6-7-18(32)17(11-14)31-19-8-5-13(12-30-19)23(25,26)27/h1-5,8-10,12,14,17-18H,6-7,11H2,(H,30,31)
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 8n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM326645
PNG
(((1S,2R,4R)-2-((5-bromopyrazin-2-yl)amino)-7-azabi...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2cnc(Br)cn2)c1-n1nccn1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C20H20BrN7O/c1-12-3-2-4-14(19(12)28-24-7-8-25-28)20(29)27-13-5-6-16(27)15(9-13)26-18-11-22-17(21)10-23-18/h2-4,7-8,10-11,13,15-16H,5-6,9H2,1H3,(H,23,26)
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 9n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM163952
PNG
(US9062078, 164 | US9062078, 83 | US9475819, 83 | U...)
Show SMILES CCOc1ncc2ccccc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2 |TLB:21:20:18.17:15|
Show InChI InChI=1S/C24H25N3O3/c1-2-29-23-22(19-8-4-3-7-16(19)14-26-23)24(28)27-18-10-11-20(27)17(13-18)15-30-21-9-5-6-12-25-21/h3-9,12,14,17-18,20H,2,10-11,13,15H2,1H3
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 9n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM163873
PNG
(US9062078, 111 | US9062078, 7 | US9062078, 8A | US...)
Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1 |TLB:15:14:12.11:9|
Show InChI InChI=1S/C21H21FN6O2/c1-13-2-5-18(28-24-8-9-25-28)20(26-13)21(29)27-16-4-6-17(27)14(10-16)12-30-19-7-3-15(22)11-23-19/h2-3,5,7-9,11,14,16-17H,4,6,10,12H2,1H3
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 9n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM163876
PNG
(US9062078, 10A | US9062078, 10B | US9062078, 9 | U...)
Show SMILES Cc1ccc(c(c1)C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1 |TLB:15:14:12.11:9|
Show InChI InChI=1S/C22H22FN5O2/c1-14-2-5-20(28-25-8-9-26-28)18(10-14)22(29)27-17-4-6-19(27)15(11-17)13-30-21-7-3-16(23)12-24-21/h2-3,5,7-10,12,15,17,19H,4,6,11,13H2,1H3
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 9n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM164165
PNG
(US9062078, 295 | US9475819, 295 | US9637496, 295 |...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2ccc(cn2)C(F)(F)F)c1-n1nccn1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C22H21F3N6O/c1-13-3-2-4-16(20(13)31-27-9-10-28-31)21(32)30-15-6-7-18(30)17(11-15)29-19-8-5-14(12-26-19)22(23,24)25/h2-5,8-10,12,15,17-18H,6-7,11H2,1H3,(H,26,29)
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 9n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM163902
PNG
(US9062078, 33 | US9475819, 33 | US9637496, 33 | US...)
Show SMILES Cc1ccc(-c2ncccn2)c(c1)C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2 |TLB:21:20:18.17:15|
Show InChI InChI=1S/C24H23FN4O2/c1-15-3-6-19(23-26-9-2-10-27-23)20(11-15)24(30)29-18-5-7-21(29)16(12-18)14-31-22-8-4-17(25)13-28-22/h2-4,6,8-11,13,16,18,21H,5,7,12,14H2,1H3
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 9n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM326643
PNG
(((1S,2R,4R)-2-((5-bromopyrazin-2-yl)amino)-7-azabi...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2cnc(Br)cn2)c1-c1ncccn1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C22H21BrN6O/c1-13-4-2-5-15(20(13)21-24-8-3-9-25-21)22(30)29-14-6-7-17(29)16(10-14)28-19-12-26-18(23)11-27-19/h2-5,8-9,11-12,14,16-17H,6-7,10H2,1H3,(H,27,28)
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 9n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM164153
PNG
(US9062078, 283 | US9475819, 283 | US9637496, 283 |...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2ncc(cn2)C(F)(F)F)c1-c1ncco1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C22H20F3N5O2/c1-12-3-2-4-15(18(12)19-26-7-8-32-19)20(31)30-14-5-6-17(30)16(9-14)29-21-27-10-13(11-28-21)22(23,24)25/h2-4,7-8,10-11,14,16-17H,5-6,9H2,1H3,(H,27,28,29)
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 9n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM326635
PNG
((3-chloro-2-(pyrimidin-2-yl)phenyl)((1S,2R,4R)-2-(...)
Show SMILES FC(F)(F)c1cnc(NC2CC3CCC2N3C(=O)c2cccc(Cl)c2-c2ncccn2)cn1 |THB:8:9:13.12:15|
Show InChI InChI=1S/C22H18ClF3N6O/c23-14-4-1-3-13(19(14)20-27-7-2-8-28-20)21(33)32-12-5-6-16(32)15(9-12)31-18-11-29-17(10-30-18)22(24,25)26/h1-4,7-8,10-12,15-16H,5-6,9H2,(H,30,31)
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 9n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM326635
PNG
((3-chloro-2-(pyrimidin-2-yl)phenyl)((1S,2R,4R)-2-(...)
Show SMILES FC(F)(F)c1cnc(NC2CC3CCC2N3C(=O)c2cccc(Cl)c2-c2ncccn2)cn1 |THB:8:9:13.12:15|
Show InChI InChI=1S/C22H18ClF3N6O/c23-14-4-1-3-13(19(14)20-27-7-2-8-28-20)21(33)32-12-5-6-16(32)15(9-12)31-18-11-29-17(10-30-18)22(24,25)26/h1-4,7-8,10-12,15-16H,5-6,9H2,(H,30,31)
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 9n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM326650
PNG
(((1S,2R,4R)-2-((5-bromopyrimidin-2-yl)amino)-7-aza...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2ncc(Br)cn2)c1-n1nccn1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C20H20BrN7O/c1-12-3-2-4-15(18(12)28-24-7-8-25-28)19(29)27-14-5-6-17(27)16(9-14)26-20-22-10-13(21)11-23-20/h2-4,7-8,10-11,14,16-17H,5-6,9H2,1H3,(H,22,23,26)
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 9n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM163888
PNG
(US9062078, 167 | US9062078, 19 | US9475819, 19 | U...)
Show SMILES Cc1ccc(OCC2CC3CCC2N3C(=O)c2cc(C)ccc2-n2nccn2)nc1 |THB:6:7:11.10:13|
Show InChI InChI=1S/C23H25N5O2/c1-15-3-6-21(28-25-9-10-26-28)19(11-15)23(29)27-18-5-7-20(27)17(12-18)14-30-22-8-4-16(2)13-24-22/h3-4,6,8-11,13,17-18,20H,5,7,12,14H2,1-2H3
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 9n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM326682
PNG
((2-(5-fluoropyrimidin-2-yl)-3-methylphenyl)((1S,2R...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2cnc(cn2)C(F)(F)F)c1-c1ncc(F)cn1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C23H20F4N6O/c1-12-3-2-4-15(20(12)21-30-8-13(24)9-31-21)22(34)33-14-5-6-17(33)16(7-14)32-19-11-28-18(10-29-19)23(25,26)27/h2-4,8-11,14,16-17H,5-7H2,1H3,(H,29,32)
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 9n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM163958
PNG
(US9062078, 89 | US9475819, 89 | US9637496, 89 | US...)
Show SMILES CCOc1ccc2ccccc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2 |TLB:21:20:18.17:15|
Show InChI InChI=1S/C25H26N2O3/c1-2-29-22-13-10-17-7-3-4-8-20(17)24(22)25(28)27-19-11-12-21(27)18(15-19)16-30-23-9-5-6-14-26-23/h3-10,13-14,18-19,21H,2,11-12,15-16H2,1H3
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 10n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM326682
PNG
((2-(5-fluoropyrimidin-2-yl)-3-methylphenyl)((1S,2R...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2cnc(cn2)C(F)(F)F)c1-c1ncc(F)cn1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C23H20F4N6O/c1-12-3-2-4-15(20(12)21-30-8-13(24)9-31-21)22(34)33-14-5-6-17(33)16(7-14)32-19-11-28-18(10-29-19)23(25,26)27/h2-4,8-11,14,16-17H,5-7H2,1H3,(H,29,32)
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 10n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM163879
PNG
(US9062078, 11 | US9062078, 12A | US9062078, 12B | ...)
Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)nc1 |THB:6:7:11.10:13|
Show InChI InChI=1S/C23H21FN2O2S/c24-16-7-10-22(25-13-16)28-14-15-12-17-8-9-20(15)26(17)23(27)19-5-2-1-4-18(19)21-6-3-11-29-21/h1-7,10-11,13,15,17,20H,8-9,12,14H2
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 10n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM163977
PNG
(US9062078, 108 | US9475819, 108 | US9637496, 108 |...)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1 |TLB:16:15:13.12:10|
Show InChI InChI=1S/C22H22FN5O3/c1-30-19-4-2-3-18(28-25-9-10-26-28)21(19)22(29)27-16-6-7-17(27)14(11-16)13-31-20-8-5-15(23)12-24-20/h2-5,8-10,12,14,16-17H,6-7,11,13H2,1H3
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 10n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM163915
PNG
(US9062078, 46 | US9475819, 46 | US9637496, 46 | US...)
Show SMILES Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)n1 |THB:8:9:13.12:15|
Show InChI InChI=1S/C24H25N3O2S/c1-15-12-16(2)26-24(25-15)29-14-17-13-18-9-10-21(17)27(18)23(28)20-7-4-3-6-19(20)22-8-5-11-30-22/h3-8,11-12,17-18,21H,9-10,13-14H2,1-2H3
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 10n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM164115
PNG
(US9062078, 245 | US9475819, 245 | US9637496, 245 |...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2cnc(cn2)C(F)(F)F)c1-n1nccn1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C21H20F3N7O/c1-12-3-2-4-14(19(12)31-27-7-8-28-31)20(32)30-13-5-6-16(30)15(9-13)29-18-11-25-17(10-26-18)21(22,23)24/h2-4,7-8,10-11,13,15-16H,5-6,9H2,1H3,(H,26,29)
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 10n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM326660
PNG
((3-chloro-2-(pyrimidin-2-yl)phenyl)((1S,2R,4R)-2-(...)
Show SMILES FC(F)(F)c1ccc(NC2CC3CCC2N3C(=O)c2cccc(Cl)c2-c2ncccn2)nc1 |THB:8:9:13.12:15|
Show InChI InChI=1S/C23H19ClF3N5O/c24-16-4-1-3-15(20(16)21-28-9-2-10-29-21)22(33)32-14-6-7-18(32)17(11-14)31-19-8-5-13(12-30-19)23(25,26)27/h1-5,8-10,12,14,17-18H,6-7,11H2,(H,30,31)
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 10n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM164130
PNG
(US9062078, 260 | US9475819, 260 | US9637496, 260 |...)
Show SMILES Fc1cccc(C(=O)N2C3CCC2C(C3)Nc2cnc(cn2)C(F)(F)F)c1-c1ncco1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C21H17F4N5O2/c22-13-3-1-2-12(18(13)19-26-6-7-32-19)20(31)30-11-4-5-15(30)14(8-11)29-17-10-27-16(9-28-17)21(23,24)25/h1-3,6-7,9-11,14-15H,4-5,8H2,(H,28,29)
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 10n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM163898
PNG
(US9062078, 29 | US9475819, 29 | US9637496, 29 | US...)
Show SMILES Cc1nc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c(s1)-c1ccccc1F |TLB:12:11:9.8:6|
Show InChI InChI=1S/C23H21F2N3O2S/c1-13-27-21(22(31-13)17-4-2-3-5-18(17)25)23(29)28-16-7-8-19(28)14(10-16)12-30-20-9-6-15(24)11-26-20/h2-6,9,11,14,16,19H,7-8,10,12H2,1H3
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 11n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM163961
PNG
(US9062078, 92 | US9475819, 92 | US9637496, 92 | US...)
Show SMILES Cc1nc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(s1)-c1ccccc1 |TLB:12:11:9.8:6|
Show InChI InChI=1S/C23H23N3O2S/c1-15-25-21(22(29-15)16-7-3-2-4-8-16)23(27)26-18-10-11-19(26)17(13-18)14-28-20-9-5-6-12-24-20/h2-9,12,17-19H,10-11,13-14H2,1H3
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 11n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM163958
PNG
(US9062078, 89 | US9475819, 89 | US9637496, 89 | US...)
Show SMILES CCOc1ccc2ccccc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2 |TLB:21:20:18.17:15|
Show InChI InChI=1S/C25H26N2O3/c1-2-29-22-13-10-17-7-3-4-8-20(17)24(22)25(28)27-19-11-12-21(27)18(15-19)16-30-23-9-5-6-14-26-23/h3-10,13-14,18-19,21H,2,11-12,15-16H2,1H3
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 11n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))		BDBM326640
PNG
(((1S,2R,4R)-2-((5-bromopyridin-2-yl)amino)-7-azabi...)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2ccc(Br)cn2)c1-n1nccn1 |TLB:15:13:11.10:8|
Show InChI InChI=1S/C21H21BrN6O/c1-13-3-2-4-16(20(13)28-24-9-10-25-28)21(29)27-15-6-7-18(27)17(11-15)26-19-8-5-14(22)12-23-19/h2-5,8-10,12,15,17-18H,6-7,11H2,1H3,(H,23,26)
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 11n/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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%