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36 similar compounds to monomer 50084395

Compile data set for download or QSAR
Wt: 402.4
BDBM97373
Wt: 402.4
BDBM97374
Wt: 406.4
BDBM97375
Wt: 406.4
BDBM97377
Wt: 402.4
BDBM97378
Wt: 467.3
BDBM97384
Wt: 431.4
BDBM97386
Wt: 413.4
BDBM97387
Wt: 432.4
BDBM97389
Wt: 406.4
BDBM97390
Wt: 448.4
BDBM97393
Wt: 422.8
BDBM97397
Wt: 388.4
BDBM97406
Wt: 413.4
BDBM120778
Wt: 429.3
BDBM143746
Displayed 1 to 15 (of 36 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 92 hits for monomerid = 97373,97374,97375,97377,97378,97384,97386,97387,97389,97390,97393,97397,97406,120778,143746   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Orexin receptor type 2


(Homo sapiens (Human))
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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0.110n/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)


BindingDB Entry DOI: 10.7270/Q2QN65DD
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
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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0.300n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human OX2R by radioligand displacement assay


Bioorg Med Chem Lett 25: 444-50 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.056
BindingDB Entry DOI: 10.7270/Q2KD20MV
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM97397
PNG
(Orexin receptor antagonist 29 | Orexin receptor an...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(Cl)cc1-n1nccn1)Oc1cc(ccn1)C#N
Show InChI InChI=1S/C21H19ClN6O2/c1-14-2-4-17(30-20-10-15(12-23)6-7-24-20)13-27(14)21(29)18-5-3-16(22)11-19(18)28-25-8-9-26-28/h3,5-11,14,17H,2,4,13H2,1H3/t14-,17-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition constant (ki) is determined using a radioligand assay.


US Patent US20130102619 (2013)


BindingDB Entry DOI: 10.7270/Q2K64GP7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM97397
PNG
(Orexin receptor antagonist 29 | Orexin receptor an...)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(Cl)cc1-n1nccn1)Oc1cc(ccn1)C#N
Show InChI InChI=1S/C21H19ClN6O2/c1-14-2-4-17(30-20-10-15(12-23)6-7-24-20)13-27(14)21(29)18-5-3-16(22)11-19(18)28-25-8-9-26-28/h3,5-11,14,17H,2,4,13H2,1H3/t14-,17-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition constant (ki) is determined using a radioligand assay.


US Patent US20130102619 (2013)


BindingDB Entry DOI: 10.7270/Q2K64GP7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM97406
PNG
(Orexin receptor antagonist 1 | US20130102619, 1)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(ccn1)C#N
Show InChI InChI=1S/C21H20N6O2/c1-15-6-7-17(29-20-12-16(13-22)8-9-23-20)14-26(15)21(28)18-4-2-3-5-19(18)27-24-10-11-25-27/h2-5,8-12,15,17H,6-7,14H2,1H3/t15-,17-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition constant (ki) is determined using a radioligand assay.


US Patent US20130102619 (2013)


BindingDB Entry DOI: 10.7270/Q2K64GP7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM97406
PNG
(Orexin receptor antagonist 1 | US20130102619, 1)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(ccn1)C#N
Show InChI InChI=1S/C21H20N6O2/c1-15-6-7-17(29-20-12-16(13-22)8-9-23-20)14-26(15)21(28)18-4-2-3-5-19(18)27-24-10-11-25-27/h2-5,8-12,15,17H,6-7,14H2,1H3/t15-,17-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R exp...


Bioorg Med Chem Lett 27: 1364-1370 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.012
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM97406
PNG
(Orexin receptor antagonist 1 | US20130102619, 1)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(ccn1)C#N
Show InChI InChI=1S/C21H20N6O2/c1-15-6-7-17(29-20-12-16(13-22)8-9-23-20)14-26(15)21(28)18-4-2-3-5-19(18)27-24-10-11-25-27/h2-5,8-12,15,17H,6-7,14H2,1H3/t15-,17-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-(S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...


Bioorg Med Chem Lett 25: 2488-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.066
BindingDB Entry DOI: 10.7270/Q28S4RN5
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM97374
PNG
(Orexin receptor antagonist 4 | US20130102619, 4)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1c(C)cccc1-n1nccn1)Oc1cc(ccn1)C#N
Show InChI InChI=1S/C22H22N6O2/c1-15-4-3-5-19(28-25-10-11-26-28)21(15)22(29)27-14-18(7-6-16(27)2)30-20-12-17(13-23)8-9-24-20/h3-5,8-12,16,18H,6-7,14H2,1-2H3/t16-,18-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition constant (ki) is determined using a radioligand assay.


US Patent US20130102619 (2013)


BindingDB Entry DOI: 10.7270/Q2K64GP7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM97373
PNG
(Orexin receptor antagonist 5 | US20130102619, 5)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccc(C)c1-n1nccn1)Oc1cc(ccn1)C#N
Show InChI InChI=1S/C22H22N6O2/c1-15-4-3-5-19(21(15)28-25-10-11-26-28)22(29)27-14-18(7-6-16(27)2)30-20-12-17(13-23)8-9-24-20/h3-5,8-12,16,18H,6-7,14H2,1-2H3/t16-,18-/m1/s1
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3n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition constant (ki) is determined using a radioligand assay.


US Patent US20130102619 (2013)


BindingDB Entry DOI: 10.7270/Q2K64GP7
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)


BindingDB Entry DOI: 10.7270/Q2QN65DD
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM97390
PNG
(Orexin receptor antagonist 22 | US20130102619, 22)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1c(F)cccc1-n1nccn1)Oc1cc(ccn1)C#N
Show InChI InChI=1S/C21H19FN6O2/c1-14-5-6-16(30-19-11-15(12-23)7-8-24-19)13-27(14)21(29)20-17(22)3-2-4-18(20)28-25-9-10-26-28/h2-4,7-11,14,16H,5-6,13H2,1H3/t14-,16-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition constant (ki) is determined using a radioligand assay.


US Patent US20130102619 (2013)


BindingDB Entry DOI: 10.7270/Q2K64GP7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM97377
PNG
(Orexin receptor antagonist 8 | US20130102619, 8)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-n1nccn1)Oc1cc(ccn1)C#N
Show InChI InChI=1S/C21H19FN6O2/c1-14-2-4-17(30-20-10-15(12-23)6-7-24-20)13-27(14)21(29)18-5-3-16(22)11-19(18)28-25-8-9-26-28/h3,5-11,14,17H,2,4,13H2,1H3/t14-,17-/m1/s1
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3.5n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition constant (ki) is determined using a radioligand assay.


US Patent US20130102619 (2013)


BindingDB Entry DOI: 10.7270/Q2K64GP7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM97378
PNG
(Orexin receptor antagonist 9 | US20130102619, 9)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(C)cc1-n1nccn1)Oc1cc(ccn1)C#N
Show InChI InChI=1S/C22H22N6O2/c1-15-3-6-19(20(11-15)28-25-9-10-26-28)22(29)27-14-18(5-4-16(27)2)30-21-12-17(13-23)7-8-24-21/h3,6-12,16,18H,4-5,14H2,1-2H3/t16-,18-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition constant (ki) is determined using a radioligand assay.


US Patent US20130102619 (2013)


BindingDB Entry DOI: 10.7270/Q2K64GP7
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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 US9611277 (2017)

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


(Rattus norvegicus (Rat))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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 US9611277 (2017)

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


(Rattus norvegicus (Rat))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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 US10183953 (2019)

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


(Rattus norvegicus (Rat))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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 US10183953 (2019)

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


(Rattus norvegicus (Rat))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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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5 -10.5n/an/an/an/an/an/a4



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)


BindingDB Entry DOI: 10.7270/Q2FB51PC
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM97375
PNG
(Orexin receptor antagonist 6 | US20130102619, 6)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccc(F)c1-n1nccn1)Oc1cc(ccn1)C#N
Show InChI InChI=1S/C21H19FN6O2/c1-14-5-6-16(30-19-11-15(12-23)7-8-24-19)13-27(14)21(29)17-3-2-4-18(22)20(17)28-25-9-10-26-28/h2-4,7-11,14,16H,5-6,13H2,1H3/t14-,16-/m1/s1
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5.5n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition constant (ki) is determined using a radioligand assay.


US Patent US20130102619 (2013)


BindingDB Entry DOI: 10.7270/Q2K64GP7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM97384
PNG
(Orexin receptor antagonist 15 | US20130102619, 15)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(Br)ccc1-n1nccn1)Oc1cc(ccn1)C#N
Show InChI InChI=1S/C21H19BrN6O2/c1-14-2-4-17(30-20-10-15(12-23)6-7-24-20)13-27(14)21(29)18-11-16(22)3-5-19(18)28-25-8-9-26-28/h3,5-11,14,17H,2,4,13H2,1H3/t14-,17-/m1/s1
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9.10n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition constant (ki) is determined using a radioligand assay.


US Patent US20130102619 (2013)


BindingDB Entry DOI: 10.7270/Q2K64GP7
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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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11n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
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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Article
PubMed
11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human OX2R by radioligand displacement assay


Bioorg Med Chem Lett 25: 444-50 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.056
BindingDB Entry DOI: 10.7270/Q2KD20MV
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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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11 -10.1n/an/an/an/an/an/a4



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)


BindingDB Entry DOI: 10.7270/Q2FB51PC
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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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11n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
CHO cells stably transfected with the human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12, 10% FBS, 1...


US Patent US10183953 (2019)

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


(Homo sapiens (Human))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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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12 -10.0n/an/an/an/an/an/a4



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)


BindingDB Entry DOI: 10.7270/Q2FB51PC
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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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12n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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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12n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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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12n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
CHO cells stably transfected with the human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12, 10% FBS, 1...


US Patent US10183953 (2019)

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


(Homo sapiens (Human))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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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12n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
CHO cells stably transfected with the human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12, 10% FBS, 1...


US Patent US10183953 (2019)

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


(Homo sapiens (Human))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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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13n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
CHO cells stably transfected with the human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12, 10% FBS, 1...


US Patent US10183953 (2019)

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


(Homo sapiens (Human))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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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13n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US9611277 (2017)

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


(Rattus norvegicus (Rat))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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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21n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US9611277 (2017)

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


(Rattus norvegicus (Rat))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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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21 -9.73n/an/an/an/an/an/a4



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)


BindingDB Entry DOI: 10.7270/Q2FB51PC
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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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21n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US9611277 (2017)

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


(Rattus norvegicus (Rat))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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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21n/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 US10183953 (2019)

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


(Rattus norvegicus (Rat))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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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21n/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 US10183953 (2019)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM97386
PNG
(Orexin receptor antagonist 18 | US20130102619, 18)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(ccc1-n1nccn1)C(N)=O)Oc1cc(ccn1)C#N
Show InChI InChI=1S/C22H21N7O3/c1-14-2-4-17(32-20-10-15(12-23)6-7-25-20)13-28(14)22(31)18-11-16(21(24)30)3-5-19(18)29-26-8-9-27-29/h3,5-11,14,17H,2,4,13H2,1H3,(H2,24,30)/t14-,17-/m1/s1
PDB

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134n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition constant (ki) is determined using a radioligand assay.


US Patent US20130102619 (2013)


BindingDB Entry DOI: 10.7270/Q2K64GP7
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM97384
PNG
(Orexin receptor antagonist 15 | US20130102619, 15)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(Br)ccc1-n1nccn1)Oc1cc(ccn1)C#N
Show InChI InChI=1S/C21H19BrN6O2/c1-14-2-4-17(30-20-10-15(12-23)6-7-24-20)13-27(14)21(29)18-11-16(22)3-5-19(18)28-25-8-9-26-28/h3,5-11,14,17H,2,4,13H2,1H3/t14-,17-/m1/s1
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265n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition constant (ki) is determined using a radioligand assay.


US Patent US20130102619 (2013)


BindingDB Entry DOI: 10.7270/Q2K64GP7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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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322n/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 US8969352 (2015)


BindingDB Entry DOI: 10.7270/Q2FB51PC
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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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322n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US9611277 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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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322n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
PFSK-1 cells endogenously expressing the human orexin 2 receptor were grown to confluency in RPMI1640 (Hyclone, cat #30027.02), 10% FBS, 1 pen-strep...


US Patent US10183953 (2019)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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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343n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
PFSK-1 cells endogenously expressing the human orexin 2 receptor were grown to confluency in RPMI1640 (Hyclone, cat #30027.02), 10% FBS, 1 pen-strep...


US Patent US10183953 (2019)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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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343n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US9611277 (2017)

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


(Homo sapiens (Human))
BDBM97373
PNG
(Orexin receptor antagonist 5 | US20130102619, 5)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccc(C)c1-n1nccn1)Oc1cc(ccn1)C#N
Show InChI InChI=1S/C22H22N6O2/c1-15-4-3-5-19(21(15)28-25-10-11-26-28)22(29)27-14-18(7-6-16(27)2)30-20-12-17(13-23)8-9-24-20/h3-5,8-12,16,18H,6-7,14H2,1-2H3/t16-,18-/m1/s1
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669n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition constant (ki) is determined using a radioligand assay.


US Patent US20130102619 (2013)


BindingDB Entry DOI: 10.7270/Q2K64GP7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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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800n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
PFSK-1 cells endogenously expressing the human orexin 2 receptor were grown to confluency in RPMI1640 (Hyclone, cat #30027.02), 10% FBS, 1 pen-strep...


US Patent US10183953 (2019)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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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800n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US9611277 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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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800n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
PFSK-1 cells endogenously expressing the human orexin 2 receptor were grown to confluency in RPMI1640 (Hyclone, cat #30027.02), 10% FBS, 1 pen-strep...


US Patent US10183953 (2019)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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
PDB

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800n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US9611277 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM143746
PNG
(US10183953, Example 36 | US8969352, 36 | US8969352...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1
Show InChI InChI=1S/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
PDB

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800n/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 US8969352 (2015)


BindingDB Entry DOI: 10.7270/Q2FB51PC
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM97406
PNG
(Orexin receptor antagonist 1 | US20130102619, 1)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1cc(ccn1)C#N
Show InChI InChI=1S/C21H20N6O2/c1-15-6-7-17(29-20-12-16(13-22)8-9-23-20)14-26(15)21(28)18-4-2-3-5-19(18)27-24-10-11-25-27/h2-5,8-12,15,17H,6-7,14H2,1H3/t15-,17-/m1/s1
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813n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
The inhibition constant (ki) is determined using a radioligand assay.


US Patent US20130102619 (2013)


BindingDB Entry DOI: 10.7270/Q2K64GP7
More data for this
Ligand-Target Pair
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