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Found 658 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 1 (OX1)' AND taxid = 10116   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM50417257
PNG
(SB-649868)
Show SMILES Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cccc3occc23)c(s1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1
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Article
PubMed
0.117n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat OX1R expressed in CHO cells by FLIPR calcium based functional assay


Bioorg Med Chem Lett 21: 5562-7 (2011)

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


(Rattus norvegicus (Rat))
BDBM104700
PNG
(US8569311, 1-10)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ccccc1
Show InChI InChI=1S/C26H27FN2O2/c1-18-8-12-23(21-6-4-3-5-7-21)24(14-18)26(30)29-16-20(10-9-19(29)2)17-31-25-13-11-22(27)15-28-25/h3-8,11-15,19-20H,9-10,16-17H2,1-2H3/t19-,20-/m1/s1
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US Patent
0.710n/an/an/an/an/an/an/an/a



Merch Sharp & Dohme Corp.

US Patent


Assay Description
Radioligand binding assay described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US8569311 (2013)

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


(Rattus norvegicus (Rat))
BDBM104689
PNG
(US8569311, A-9)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C22H24FN5O2/c1-15-3-7-20(28-25-9-10-26-28)19(11-15)22(29)27-13-17(5-4-16(27)2)14-30-21-8-6-18(23)12-24-21/h3,6-12,16-17H,4-5,13-14H2,1-2H3/t16-,17-/m1/s1
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1n/an/an/an/an/an/an/an/a



Merch Sharp & Dohme Corp.

US Patent


Assay Description
Radioligand binding assay described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US8569311 (2013)

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


(Rattus norvegicus (Rat))
BDBM104697
PNG
(US8569311, 1-1)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1nccs1
Show InChI InChI=1S/C23H24FN3O2S/c1-15-3-7-19(22-25-9-10-30-22)20(11-15)23(28)27-13-17(5-4-16(27)2)14-29-21-8-6-18(24)12-26-21/h3,6-12,16-17H,4-5,13-14H2,1-2H3/t16-,17-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Merch Sharp & Dohme Corp.

US Patent


Assay Description
Radioligand binding assay described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US8569311 (2013)

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


(Rattus norvegicus (Rat))
BDBM104692
PNG
(US8569311, E-5)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncccn1
Show InChI InChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



Merch Sharp & Dohme Corp.

US Patent


Assay Description
Radioligand binding assay described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US8569311 (2013)

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


(Rattus norvegicus (Rat))
BDBM143771
PNG
(US8969352, 32)
Show SMILES Cc1cccc(C(=O)N2CC3CC(Oc4ccc(cn4)C(F)(F)F)C2C3)c1-c1ncco1
Show InChI InChI=1/C23H20F3N3O3/c1-13-3-2-4-16(20(13)21-27-7-8-31-21)22(30)29-12-14-9-17(29)18(10-14)32-19-6-5-15(11-28-19)23(24,25)26/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
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM 001525) or Chinese ovary cells (CHO) ...


US Patent US8969352 (2015)

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


(Rattus norvegicus (Rat))
BDBM143787
PNG
(US8969352, 48)
Show SMILES Fc1cccc(C(=O)N2CC3CC(Oc4ccc(Br)cn4)C2C3)c1-c1ncccn1
Show InChI InChI=1/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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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 US8969352 (2015)

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


(Rattus norvegicus (Rat))
BDBM143792
PNG
(US8969352, 53)
Show SMILES FC(F)(F)c1ccc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1/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 US8969352 (2015)

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


(Rattus norvegicus (Rat))
BDBM143794
PNG
(US8969352, 55)
Show SMILES Cc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1
Show InChI InChI=1/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 US8969352 (2015)

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


(Rattus norvegicus (Rat))
BDBM104701
PNG
(US8569311, 1-15)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ccccn1
Show InChI InChI=1S/C25H26FN3O2/c1-17-6-10-21(23-5-3-4-12-27-23)22(13-17)25(30)29-15-19(8-7-18(29)2)16-31-24-11-9-20(26)14-28-24/h3-6,9-14,18-19H,7-8,15-16H2,1-2H3/t18-,19-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Merch Sharp & Dohme Corp.

US Patent


Assay Description
Radioligand binding assay described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US8569311 (2013)

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


(Rattus norvegicus (Rat))
BDBM120779
PNG
(US8710076, H-4)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(C)ccc1-n1nccn1)Nc1nccc2ccccc12
Show InChI InChI=1S/C25H26N6O/c1-17-7-10-23(31-27-13-14-28-31)22(15-17)25(32)30-16-20(9-8-18(30)2)29-24-21-6-4-3-5-19(21)11-12-26-24/h3-7,10-15,18,20H,8-9,16H2,1-2H3,(H,26,29)/t18-,20-/m1/s1
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3.25n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8710076 (2014)

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


(Rattus norvegicus (Rat))
BDBM104690
PNG
(US8569311, B-3)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1cnccn1
Show InChI InChI=1S/C24H25FN4O2/c1-16-3-7-20(22-13-26-9-10-27-22)21(11-16)24(30)29-14-18(5-4-17(29)2)15-31-23-8-6-19(25)12-28-23/h3,6-13,17-18H,4-5,14-15H2,1-2H3/t17-,18-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Merch Sharp & Dohme Corp.

US Patent


Assay Description
Radioligand binding assay described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US8569311 (2013)

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


(Rattus norvegicus (Rat))
BDBM120778
PNG
(US8710076, F-2)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1nccc2ccccc12
Show InChI InChI=1S/C24H23N5O2/c1-17-10-11-19(31-23-20-7-3-2-6-18(20)12-13-25-23)16-28(17)24(30)21-8-4-5-9-22(21)29-26-14-15-27-29/h2-9,12-15,17,19H,10-11,16H2,1H3/t17-,19-/m1/s1
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3.35n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8710076 (2014)

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


(Rattus norvegicus (Rat))
BDBM64682
PNG
(US9475819, 10A)
Show SMILES Cc1ccc(c(c1)C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2)-n1nccn1
Show InChI InChI=1/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/t15-,17+,19-/s2
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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 US9475819 (2016)

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


(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
Show InChI InChI=1/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
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% F...


US Patent US9062078 (2015)

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


(Rattus norvegicus (Rat))
BDBM143797
PNG
(US8969352, 58)
Show SMILES Fc1ccc(-c2ncccn2)c(c1)C(=O)N1CC2CC(Nc3ccc(cn3)C(F)(F)F)C1C2
Show InChI InChI=1/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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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 US8969352 (2015)

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


(Rattus norvegicus (Rat))
BDBM143750
PNG
(US8969352, 11 | US8969352, 27)
Show SMILES Fc1cccc(C(=O)N2CC3CC(Oc4ccc(cn4)C(F)(F)F)C2C3)c1-c1ncccn1
Show InChI InChI=1/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 US8969352 (2015)

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


(Rattus norvegicus (Rat))
BDBM164136
PNG
(US9062078, 266 | US9475819, 266)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2cnc(cn2)C(F)(F)F)c1-c1ncco1
Show InChI InChI=1/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 US9475819 (2016)

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


(Rattus norvegicus (Rat))
BDBM164166
PNG
(US9062078, 296 | US9475819, 296)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2ccc(cn2)C(F)(F)F)c1-c1ncco1
Show InChI InChI=1/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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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 US9475819 (2016)

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


(Rattus norvegicus (Rat))
BDBM143746
PNG
(US8969352, 36 | US8969352, 7)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1/C21H18F3N5O2/c22-21(23,24)14-5-6-19(25-11-14)31-18-10-13-9-17(18)28(12-13)20(30)15-3-1-2-4-16(15)29-26-7-8-27-29/h1-8,11,13,17-18H,9-10,12H2
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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 US8969352 (2015)

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


(Rattus norvegicus (Rat))
BDBM143793
PNG
(US8969352, 54)
Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CC(Nc3ccc(cn3)C(F)(F)F)C1C2)-n1nccn1
Show InChI InChI=1/C21H20F3N7O/c1-12-2-4-16(31-26-6-7-27-31)19(28-12)20(32)30-11-13-8-15(17(30)9-13)29-18-5-3-14(10-25-18)21(22,23)24/h2-7,10,13,15,17H,8-9,11H2,1H3,(H,25,29)
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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 US8969352 (2015)

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


(Rattus norvegicus (Rat))
BDBM164136
PNG
(US9062078, 266 | US9475819, 266)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2cnc(cn2)C(F)(F)F)c1-c1ncco1
Show InChI InChI=1/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
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% F...


US Patent US9062078 (2015)

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


(Rattus norvegicus (Rat))
BDBM164166
PNG
(US9062078, 296 | US9475819, 296)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2ccc(cn2)C(F)(F)F)c1-c1ncco1
Show InChI InChI=1/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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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 NM001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% F...


US Patent US9062078 (2015)

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


(Rattus norvegicus (Rat))
BDBM112674
PNG
(US8623863, 3-8)
Show SMILES CC1COCC(COc2ccc(F)c(C)c2)CN1C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C24H27FN4O3/c1-16-4-7-23(29-26-8-9-27-29)21(10-16)24(30)28-12-19(14-31-13-18(28)3)15-32-20-5-6-22(25)17(2)11-20/h4-11,18-19H,12-15H2,1-3H3
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5.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)

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


(Rattus norvegicus (Rat))
BDBM143788
PNG
(US8969352, 49)
Show SMILES Brc1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1/C20H18BrN5O2/c21-14-5-6-19(22-11-14)28-18-10-13-9-17(18)25(12-13)20(27)15-3-1-2-4-16(15)26-23-7-8-24-26/h1-8,11,13,17-18H,9-10,12H2
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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 US8969352 (2015)

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


(Rattus norvegicus (Rat))
BDBM143796
PNG
(US8969352, 57)
Show SMILES Fc1ccc(c(c1)C(=O)N1CC2CC(Nc3ccc(cn3)C(F)(F)F)C1C2)-n1nccn1
Show InChI InChI=1/C21H18F4N6O/c22-14-2-3-17(31-27-5-6-28-31)15(9-14)20(32)30-11-12-7-16(18(30)8-12)29-19-4-1-13(10-26-19)21(23,24)25/h1-6,9-10,12,16,18H,7-8,11H2,(H,26,29)
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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 US8969352 (2015)

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


(Rattus norvegicus (Rat))
BDBM143798
PNG
(US8969352, 59)
Show SMILES FC(F)(F)c1cnc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)cn1
Show InChI InChI=1/C20H18F3N7O/c21-20(22,23)17-9-25-18(10-24-17)28-14-7-12-8-16(14)29(11-12)19(31)13-3-1-2-4-15(13)30-26-5-6-27-30/h1-6,9-10,12,14,16H,7-8,11H2,(H,25,28)
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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 US8969352 (2015)

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


(Rattus norvegicus (Rat))
BDBM104699
PNG
(US8569311, 1-8)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1S/C21H21F2N5O2/c1-14-2-3-15(13-30-20-7-5-17(23)11-24-20)12-27(14)21(29)18-10-16(22)4-6-19(18)28-25-8-9-26-28/h4-11,14-15H,2-3,12-13H2,1H3/t14-,15-/m1/s1
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6.80n/an/an/an/an/an/an/an/a



Merch Sharp & Dohme Corp.

US Patent


Assay Description
Radioligand binding assay described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US8569311 (2013)

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


(Rattus norvegicus (Rat))
BDBM175171
PNG
(US9115117, 73)
Show SMILES C[C@H]1[C@@H](CCCN1C(=O)c1ncc(C)cc1-n1nccn1)Nc1nc2ccccc2o1
Show InChI InChI=1/C22H23N7O2/c1-14-12-18(29-24-9-10-25-29)20(23-13-14)21(30)28-11-5-7-16(15(28)2)26-22-27-17-6-3-4-8-19(17)31-22/h3-4,6,8-10,12-13,15-16H,5,7,11H2,1-2H3,(H,26,27)/t15-,16+/s2
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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) s...


US Patent US9115117 (2015)

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


(Rattus norvegicus (Rat))
BDBM175116
PNG
(US9115117, 18 | US9115117, 87)
Show SMILES C[C@H]1[C@@H](CCCN1C(=O)c1nc(C)ccc1-n1nccn1)Nc1ccc(cn1)C(F)(F)F
Show InChI InChI=1/C21H22F3N7O/c1-13-5-7-17(31-26-9-10-27-31)19(28-13)20(32)30-11-3-4-16(14(30)2)29-18-8-6-15(12-25-18)21(22,23)24/h5-10,12,14,16H,3-4,11H2,1-2H3,(H,25,29)/t14-,16+/s2
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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) s...


US Patent US9115117 (2015)

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


(Rattus norvegicus (Rat))
BDBM143786
PNG
(US8969352, 47)
Show SMILES Fc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Oc3ccc(Br)cn3)C1C2
Show InChI InChI=1/C22H18BrFN4O2/c23-14-5-6-19(27-11-14)30-18-10-13-9-17(18)28(12-13)22(29)20-15(3-1-4-16(20)24)21-25-7-2-8-26-21/h1-8,11,13,17-18H,9-10,12H2
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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 US8969352 (2015)

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


(Rattus norvegicus (Rat))
BDBM143789
PNG
(US8969352, 50)
Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CC(Oc3ccc(Br)cn3)C1C2)-n1nccn1
Show InChI InChI=1/C20H19BrN6O2/c1-12-2-4-15(27-23-6-7-24-27)19(25-12)20(28)26-11-13-8-16(26)17(9-13)29-18-5-3-14(21)10-22-18/h2-7,10,13,16-17H,8-9,11H2,1H3
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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 US8969352 (2015)

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


(Rattus norvegicus (Rat))
BDBM104703
PNG
(US8569311, 1-21)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1cn[nH]c1
Show InChI InChI=1S/C23H25FN4O2/c1-15-3-7-20(18-10-26-27-11-18)21(9-15)23(29)28-13-17(5-4-16(28)2)14-30-22-8-6-19(24)12-25-22/h3,6-12,16-17H,4-5,13-14H2,1-2H3,(H,26,27)/t16-,17-/m1/s1
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7.10n/an/an/an/an/an/an/an/a



Merch Sharp & Dohme Corp.

US Patent


Assay Description
Radioligand binding assay described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US8569311 (2013)

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


(Rattus norvegicus (Rat))
BDBM175177
PNG
(US9115117, 79)
Show SMILES C[C@H]1[C@@H](CCCN1C(=O)c1ccc(C)cc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F
Show InChI InChI=1/C21H22F3N7O/c1-13-5-6-15(17(10-13)31-27-7-8-28-31)20(32)30-9-3-4-16(14(30)2)29-19-12-25-18(11-26-19)21(22,23)24/h5-8,10-12,14,16H,3-4,9H2,1-2H3,(H,26,29)/t14-,16+/s2
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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) s...


US Patent US9115117 (2015)

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


(Rattus norvegicus (Rat))
BDBM175136
PNG
(US9115117, 38 | US9115117, 85)
Show SMILES C[C@H]1[C@@H](CCCN1C(=O)c1ccccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F
Show InChI InChI=1/C20H20F3N7O/c1-13-15(28-18-12-24-17(11-25-18)20(21,22)23)6-4-10-29(13)19(31)14-5-2-3-7-16(14)30-26-8-9-27-30/h2-3,5,7-9,11-13,15H,4,6,10H2,1H3,(H,25,28)/t13-,15+/s2
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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) s...


US Patent US9115117 (2015)

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


(Rattus norvegicus (Rat))
BDBM175130
PNG
(US9115117, 100 | US9115117, 32)
Show SMILES C[C@H]1[C@@H](CCCN1C(=O)c1ccccc1-n1nccn1)Nc1ccc(Cl)cn1
Show InChI InChI=1/C20H21ClN6O/c1-14-17(25-19-9-8-15(21)13-22-19)6-4-12-26(14)20(28)16-5-2-3-7-18(16)27-23-10-11-24-27/h2-3,5,7-11,13-14,17H,4,6,12H2,1H3,(H,22,25)/t14-,17+/s2
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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) s...


US Patent US9115117 (2015)

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


(Rattus norvegicus (Rat))
BDBM175203
PNG
(US9115117, 112)
Show SMILES C[C@H]1[C@@H](CCCN1C(=O)c1ccc(C)cc1-n1nccn1)Oc1ccc(cn1)C(F)(F)F
Show InChI InChI=1/C22H22F3N5O2/c1-14-5-7-17(18(12-14)30-27-9-10-28-30)21(31)29-11-3-4-19(15(29)2)32-20-8-6-16(13-26-20)22(23,24)25/h5-10,12-13,15,19H,3-4,11H2,1-2H3/t15-,19+/s2
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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) s...


US Patent US9115117 (2015)

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


(Rattus norvegicus (Rat))
BDBM143755
PNG
(US8969352, 16 | US8969352, 35)
Show SMILES Fc1cccc(C(=O)N2CC3CC(Oc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1
Show InChI InChI=1/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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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 US8969352 (2015)

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


(Rattus norvegicus (Rat))
BDBM143756
PNG
(US8969352, 17)
Show SMILES Cc1cccc(C(=O)N2CC3CC(Oc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1
Show InChI InChI=1/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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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 US8969352 (2015)

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


(Rattus norvegicus (Rat))
BDBM175122
PNG
(US9115117, 24)
Show SMILES C[C@H]1[C@@H](CCCN1C(=O)c1cc(F)ccc1-n1nccn1)Nc1ccc(cn1)C(F)(F)F
Show InChI InChI=1/C21H20F4N6O/c1-13-17(29-19-7-4-14(12-26-19)21(23,24)25)3-2-10-30(13)20(32)16-11-15(22)5-6-18(16)31-27-8-9-28-31/h4-9,11-13,17H,2-3,10H2,1H3,(H,26,29)/t13-,17+/s2
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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) s...


US Patent US9115117 (2015)

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


(Rattus norvegicus (Rat))
BDBM143755
PNG
(US8969352, 16 | US8969352, 35)
Show SMILES Fc1cccc(C(=O)N2CC3CC(Oc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1
Show InChI InChI=1/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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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 US8969352 (2015)

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


(Rattus norvegicus (Rat))
BDBM143777
PNG
(US8969352, 38)
Show SMILES Fc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2
Show InChI InChI=1/C23H18F4N4O2/c24-16-4-1-3-15(21-28-7-2-8-29-21)20(16)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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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 US8969352 (2015)

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


(Rattus norvegicus (Rat))
BDBM143795
PNG
(US8969352, 56)
Show SMILES CCOc1ccc2cccnc2c1C(=O)N1CC2CC(Nc3ccc(cn3)C(F)(F)F)C1C2
Show InChI InChI=1/C24H23F3N4O2/c1-2-33-19-7-5-15-4-3-9-28-22(15)21(19)23(32)31-13-14-10-17(18(31)11-14)30-20-8-6-16(12-29-20)24(25,26)27/h3-9,12,14,17-18H,2,10-11,13H2,1H3,(H,29,30)
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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 US8969352 (2015)

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


(Rattus norvegicus (Rat))
BDBM104707
PNG
(US8569311, 1-34)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1c(F)cccc1-c1ncccn1
Show InChI InChI=1S/C23H22F2N4O2/c1-15-6-7-16(14-31-20-9-8-17(24)12-28-20)13-29(15)23(30)21-18(4-2-5-19(21)25)22-26-10-3-11-27-22/h2-5,8-12,15-16H,6-7,13-14H2,1H3/t15-,16-/m1/s1
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8.20n/an/an/an/an/an/an/an/a



Merch Sharp & Dohme Corp.

US Patent


Assay Description
Radioligand binding assay described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US8569311 (2013)

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


(Rattus norvegicus (Rat))
BDBM112665
PNG
(US8623863, 2-8)
Show SMILES CC1CCCC(COc2ccc(F)c(C)c2)CN1C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C25H29FN4O2/c1-17-7-10-24(30-27-11-12-28-30)22(13-17)25(31)29-15-20(6-4-5-19(29)3)16-32-21-8-9-23(26)18(2)14-21/h7-14,19-20H,4-6,15-16H2,1-3H3
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8.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)

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


(Rattus norvegicus (Rat))
BDBM64946
PNG
(US9475819, 164)
Show SMILES CCOc1ncc2ccccc2c1C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccccn1)C2
Show InChI InChI=1/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/t17-,18+,20-/s2
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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 US9475819 (2016)

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


(Rattus norvegicus (Rat))
BDBM164165
PNG
(US9062078, 295 | US9475819, 295)
Show SMILES Cc1cccc(C(=O)N2C3CCC2C(C3)Nc2ccc(cn2)C(F)(F)F)c1-n1nccn1
Show InChI InChI=1/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 US9475819 (2016)

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


(Rattus norvegicus (Rat))
BDBM64646
PNG
(US9475819, 8A)
Show SMILES Cc1ccc(c(n1)C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2)-n1nccn1
Show InChI InChI=1/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/t14-,16+,17-/s2
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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 US9475819 (2016)

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


(Rattus norvegicus (Rat))
BDBM163952
PNG
(US9062078, 164 | US9062078, 83 | US9475819, 83)
Show SMILES CCOc1ncc2ccccc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2
Show InChI InChI=1/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
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% F...


US Patent US9062078 (2015)

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


(Rattus norvegicus (Rat))
BDBM175139
PNG
(US9115117, 41)
Show SMILES C[C@H]1[C@@H](CCCN1C(=O)c1ccccc1-n1nccn1)Nc1nc2ccccc2o1
Show InChI InChI=1/C22H22N6O2/c1-15-17(25-22-26-18-8-3-5-11-20(18)30-22)9-6-14-27(15)21(29)16-7-2-4-10-19(16)28-23-12-13-24-28/h2-5,7-8,10-13,15,17H,6,9,14H2,1H3,(H,25,26)/t15-,17+/s2
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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) s...


US Patent US9115117 (2015)

More data for this
Ligand-Target Pair
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