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Compile Data Set for Download or QSAR

Found 437 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


Citation and Details
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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US Patent
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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US Patent
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))
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))
BDBM163876
PNG
(US9062078, 10A | US9062078, 10B | US9062078, 9)
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))
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)
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)
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
BDBM175111
PNG
(US9115117, 13 | US9115117, 14)
Show SMILES C[C@H]1[C@@H](CCCN1C(=O)c1ccc(C)cc1-n1nccn1)Nc1ccc(cn1)C(F)(F)F
Show InChI InChI=1/C22H23F3N6O/c1-14-5-7-17(19(12-14)31-27-9-10-28-31)21(32)30-11-3-4-18(15(30)2)29-20-8-6-16(13-26-20)22(23,24)25/h5-10,12-13,15,18H,3-4,11H2,1-2H3,(H,26,29)/t15-,18+/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
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
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM163952
PNG
(US9062078, 164 | US9062078, 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))
BDBM163873
PNG
(US9062078, 111 | US9062078, 7 | US9062078, 8A | US...)
Show SMILES Cc1ccc(c(n1)C(=O)N1C2CCC1C(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
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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))
BDBM164165
PNG
(US9062078, 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
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))
BDBM143757
PNG
(US8969352, 18 | US8969352, 46)
Show SMILES Fc1cccc(c1C(=O)N1CC2CC(Oc3ccc(cn3)C(F)(F)F)C1C2)-n1nccn1
Show InChI InChI=1/C21H17F4N5O2/c22-14-2-1-3-15(30-27-6-7-28-30)19(14)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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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 US8969352 (2015)

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


(Rattus norvegicus (Rat))
BDBM175117
PNG
(US9115117, 19)
Show SMILES COc1ccc(c(c1)C(=O)N1CCC[C@@H](Nc2ccc(cn2)C(F)(F)F)[C@@H]1C)-n1nccn1
Show InChI InChI=1/C22H23F3N6O2/c1-14-18(29-20-8-5-15(13-26-20)22(23,24)25)4-3-11-30(14)21(32)17-12-16(33-2)6-7-19(17)31-27-9-10-28-31/h5-10,12-14,18H,3-4,11H2,1-2H3,(H,26,29)/t14-,18+/s2
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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) s...


US Patent US9115117 (2015)

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


(Rattus norvegicus (Rat))
BDBM163977
PNG
(US9062078, 108)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1
Show InChI InChI=1/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
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
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