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6 similar compounds to monomer 50318701

Compile data set for download or QSAR
Wt: 452.8
BDBM119564
Wt: 452.8
BDBM119565
Wt: 434.8
BDBM119562
Wt: 452.8
BDBM119563
Wt: 416.4
BDBM50318700
Wt: 434.8
BDBM164086

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 119564,119565,119562,119563,50318700,164086   
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))
BDBM50318700
PNG
(2-{(5R)-5-Methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2...)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2ccccc2o1
Show InChI InChI=1/C23H24N6O2/c1-16-7-8-20(29-24-10-11-25-29)18(15-16)22(30)28-14-13-27(12-9-17(28)2)23-26-19-5-3-4-6-21(19)31-23/h3-8,10-11,15,17H,9,12-14H2,1-2H3/t17-/s2
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Article
PubMed
3.20n/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 exp...


J Med Chem 53: 5320-32 (2010)


Article DOI: 10.1021/jm100541c
BindingDB Entry DOI: 10.7270/Q29K4C61
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50318700
PNG
(2-{(5R)-5-Methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2...)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2ccccc2o1
Show InChI InChI=1/C23H24N6O2/c1-16-7-8-20(29-24-10-11-25-29)18(15-16)22(30)28-14-13-27(12-9-17(28)2)23-26-19-5-3-4-6-21(19)31-23/h3-8,10-11,15,17H,9,12-14H2,1-2H3/t17-/s2
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4.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-cyclobutyl-5-methyl-N-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)ethyl)-2-(2H-1,2,3-triazol-2-yl)benzamide from human OX1R expre...


J Med Chem 53: 5320-32 (2010)


Article DOI: 10.1021/jm100541c
BindingDB Entry DOI: 10.7270/Q29K4C61
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50318700
PNG
(2-{(5R)-5-Methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2...)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2ccccc2o1
Show InChI InChI=1/C23H24N6O2/c1-16-7-8-20(29-24-10-11-25-29)18(15-16)22(30)28-14-13-27(12-9-17(28)2)23-26-19-5-3-4-6-21(19)31-23/h3-8,10-11,15,17H,9,12-14H2,1-2H3/t17-/s2
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4.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H](S)-N-(biphenyl-2-yl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX1R expressed in C...


J Med Chem 53: 5320-32 (2010)


Article DOI: 10.1021/jm100541c
BindingDB Entry DOI: 10.7270/Q29K4C61
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM119562
PNG
(US8680275, 119)
Show SMILES Clc1ccc2oc(nc2c1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1/C22H19ClN6O2/c23-15-5-6-20-17(11-15)26-22(31-20)28-12-14-7-10-27(13-19(14)28)21(30)16-3-1-2-4-18(16)29-24-8-9-25-29/h1-6,8-9,11,14,19H,7,10,12-13H2/t14-,19-/s2
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17 -9.85n/an/an/an/an/an/a4



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/F12 (Gibco, Cat #11039), in D...


US Patent US8680275 (2014)


BindingDB Entry DOI: 10.7270/Q2WH2NPF
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM119563
PNG
(US8680275, 120)
Show SMILES Fc1cccc(c1C(=O)N1CC[C@H]2CN([C@H]2C1)c1nc2cc(Cl)ccc2o1)-n1nccn1
Show InChI InChI=1/C22H18ClFN6O2/c23-14-4-5-19-16(10-14)27-22(32-19)29-11-13-6-9-28(12-18(13)29)21(31)20-15(24)2-1-3-17(20)30-25-7-8-26-30/h1-5,7-8,10,13,18H,6,9,11-12H2/t13-,18-/s2
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26 -9.61n/an/an/an/an/an/a4



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/F12 (Gibco, Cat #11039), in D...


US Patent US8680275 (2014)


BindingDB Entry DOI: 10.7270/Q2WH2NPF
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM119562
PNG
(US8680275, 119)
Show SMILES Clc1ccc2oc(nc2c1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1/C22H19ClN6O2/c23-15-5-6-20-17(11-15)26-22(31-20)28-12-14-7-10-27(13-19(14)28)21(30)16-3-1-2-4-18(16)29-24-8-9-25-29/h1-6,8-9,11,14,19H,7,10,12-13H2/t14-,19-/s2
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32 -9.50n/an/an/an/an/an/a4



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM 001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US8680275 (2014)


BindingDB Entry DOI: 10.7270/Q2WH2NPF
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM119563
PNG
(US8680275, 120)
Show SMILES Fc1cccc(c1C(=O)N1CC[C@H]2CN([C@H]2C1)c1nc2cc(Cl)ccc2o1)-n1nccn1
Show InChI InChI=1/C22H18ClFN6O2/c23-14-4-5-19-16(10-14)27-22(32-19)29-11-13-6-9-28(12-18(13)29)21(31)20-15(24)2-1-3-17(20)30-25-7-8-26-30/h1-5,7-8,10,13,18H,6,9,11-12H2/t13-,18-/s2
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43 -9.34n/an/an/an/an/an/a4



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM 001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US8680275 (2014)


BindingDB Entry DOI: 10.7270/Q2WH2NPF
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM119565
PNG
(US8680275, 122)
Show SMILES Fc1ccc(C(=O)N2CC[C@H]3CN([C@H]3C2)c2nc3cc(Cl)ccc3o2)c(c1)-n1nccn1
Show InChI InChI=1/C22H18ClFN6O2/c23-14-1-4-20-17(9-14)27-22(32-20)29-11-13-5-8-28(12-19(13)29)21(31)16-3-2-15(24)10-18(16)30-25-6-7-26-30/h1-4,6-7,9-10,13,19H,5,8,11-12H2/t13-,19-/s2
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59 -9.16n/an/an/an/an/an/a4



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/F12 (Gibco, Cat #11039), in D...


US Patent US8680275 (2014)


BindingDB Entry DOI: 10.7270/Q2WH2NPF
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM164086
PNG
(US9062078, 216 | US9475819, 216 | US9637496, 216 |...)
Show SMILES Clc1ccc2oc(NC3CC4CCC3N4C(=O)c3ccccc3-n3nccn3)nc2c1
Show InChI InChI=1/C22H19ClN6O2/c23-13-5-8-20-17(11-13)27-22(31-20)26-16-12-14-6-7-19(16)28(14)21(30)15-3-1-2-4-18(15)29-24-9-10-25-29/h1-5,8-11,14,16,19H,6-7,12H2,(H,26,27)
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71 -9.06n/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 NM001525) or Chinese ovary cells (CHO) s...


US Patent US9062078 (2015)


BindingDB Entry DOI: 10.7270/Q2RX99V3
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM164086
PNG
(US9062078, 216 | US9475819, 216 | US9637496, 216 |...)
Show SMILES Clc1ccc2oc(NC3CC4CCC3N4C(=O)c3ccccc3-n3nccn3)nc2c1
Show InChI InChI=1/C22H19ClN6O2/c23-13-5-8-20-17(11-13)27-22(31-20)26-16-12-14-6-7-19(16)28(14)21(30)15-3-1-2-4-18(15)29-24-9-10-25-29/h1-5,8-11,14,16,19H,6-7,12H2,(H,26,27)
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US Patent
71n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US9637496 (2017)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM164086
PNG
(US9062078, 216 | US9475819, 216 | US9637496, 216 |...)
Show SMILES Clc1ccc2oc(NC3CC4CCC3N4C(=O)c3ccccc3-n3nccn3)nc2c1
Show InChI InChI=1/C22H19ClN6O2/c23-13-5-8-20-17(11-13)27-22(31-20)26-16-12-14-6-7-19(16)28(14)21(30)15-3-1-2-4-18(15)29-24-9-10-25-29/h1-5,8-11,14,16,19H,6-7,12H2,(H,26,27)
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71 -9.06n/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 US9695183 (2017)


BindingDB Entry DOI: 10.7270/Q2N58JHM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM164086
PNG
(US9062078, 216 | US9475819, 216 | US9637496, 216 |...)
Show SMILES Clc1ccc2oc(NC3CC4CCC3N4C(=O)c3ccccc3-n3nccn3)nc2c1
Show InChI InChI=1/C22H19ClN6O2/c23-13-5-8-20-17(11-13)27-22(31-20)26-16-12-14-6-7-19(16)28(14)21(30)15-3-1-2-4-18(15)29-24-9-10-25-29/h1-5,8-11,14,16,19H,6-7,12H2,(H,26,27)
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71 -9.06n/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 US9475819 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0771
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM119564
PNG
(US8680275, 121)
Show SMILES Fc1ccc(c(c1)C(=O)N1CC[C@H]2CN([C@H]2C1)c1nc2cc(Cl)ccc2o1)-n1nccn1
Show InChI InChI=1/C22H18ClFN6O2/c23-14-1-4-20-17(9-14)27-22(32-20)29-11-13-5-8-28(12-19(13)29)21(31)16-10-15(24)2-3-18(16)30-25-6-7-26-30/h1-4,6-7,9-10,13,19H,5,8,11-12H2/t13-,19-/s2
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75 -9.03n/an/an/an/an/an/a4



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/F12 (Gibco, Cat #11039), in D...


US Patent US8680275 (2014)


BindingDB Entry DOI: 10.7270/Q2WH2NPF
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM119564
PNG
(US8680275, 121)
Show SMILES Fc1ccc(c(c1)C(=O)N1CC[C@H]2CN([C@H]2C1)c1nc2cc(Cl)ccc2o1)-n1nccn1
Show InChI InChI=1/C22H18ClFN6O2/c23-14-1-4-20-17(9-14)27-22(32-20)29-11-13-5-8-28(12-19(13)29)21(31)16-10-15(24)2-3-18(16)30-25-6-7-26-30/h1-4,6-7,9-10,13,19H,5,8,11-12H2/t13-,19-/s2
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91 -8.92n/an/an/an/an/an/a4



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM 001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US8680275 (2014)


BindingDB Entry DOI: 10.7270/Q2WH2NPF
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM164086
PNG
(US9062078, 216 | US9475819, 216 | US9637496, 216 |...)
Show SMILES Clc1ccc2oc(NC3CC4CCC3N4C(=O)c3ccccc3-n3nccn3)nc2c1
Show InChI InChI=1/C22H19ClN6O2/c23-13-5-8-20-17(11-13)27-22(31-20)26-16-12-14-6-7-19(16)28(14)21(30)15-3-1-2-4-18(15)29-24-9-10-25-29/h1-5,8-11,14,16,19H,6-7,12H2,(H,26,27)
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99 -8.88n/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 US9695183 (2017)


BindingDB Entry DOI: 10.7270/Q2N58JHM
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM164086
PNG
(US9062078, 216 | US9475819, 216 | US9637496, 216 |...)
Show SMILES Clc1ccc2oc(NC3CC4CCC3N4C(=O)c3ccccc3-n3nccn3)nc2c1
Show InChI InChI=1/C22H19ClN6O2/c23-13-5-8-20-17(11-13)27-22(31-20)26-16-12-14-6-7-19(16)28(14)21(30)15-3-1-2-4-18(15)29-24-9-10-25-29/h1-5,8-11,14,16,19H,6-7,12H2,(H,26,27)
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99 -10.0n/an/an/an/an/an/a40



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)


BindingDB Entry DOI: 10.7270/Q2RX99V3
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM164086
PNG
(US9062078, 216 | US9475819, 216 | US9637496, 216 |...)
Show SMILES Clc1ccc2oc(NC3CC4CCC3N4C(=O)c3ccccc3-n3nccn3)nc2c1
Show InChI InChI=1/C22H19ClN6O2/c23-13-5-8-20-17(11-13)27-22(31-20)26-16-12-14-6-7-19(16)28(14)21(30)15-3-1-2-4-18(15)29-24-9-10-25-29/h1-5,8-11,14,16,19H,6-7,12H2,(H,26,27)
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99 -8.88n/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 US9475819 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0771
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM164086
PNG
(US9062078, 216 | US9475819, 216 | US9637496, 216 |...)
Show SMILES Clc1ccc2oc(NC3CC4CCC3N4C(=O)c3ccccc3-n3nccn3)nc2c1
Show InChI InChI=1/C22H19ClN6O2/c23-13-5-8-20-17(11-13)27-22(31-20)26-16-12-14-6-7-19(16)28(14)21(30)15-3-1-2-4-18(15)29-24-9-10-25-29/h1-5,8-11,14,16,19H,6-7,12H2,(H,26,27)
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99n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US9637496 (2017)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM119565
PNG
(US8680275, 122)
Show SMILES Fc1ccc(C(=O)N2CC[C@H]3CN([C@H]3C2)c2nc3cc(Cl)ccc3o2)c(c1)-n1nccn1
Show InChI InChI=1/C22H18ClFN6O2/c23-14-1-4-20-17(9-14)27-22(32-20)29-11-13-5-8-28(12-19(13)29)21(31)16-3-2-15(24)10-18(16)30-25-6-7-26-30/h1-4,6-7,9-10,13,19H,5,8,11-12H2/t13-,19-/s2
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128 -8.73n/an/an/an/an/an/a4



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM 001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US8680275 (2014)


BindingDB Entry DOI: 10.7270/Q2WH2NPF
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM164086
PNG
(US9062078, 216 | US9475819, 216 | US9637496, 216 |...)
Show SMILES Clc1ccc2oc(NC3CC4CCC3N4C(=O)c3ccccc3-n3nccn3)nc2c1
Show InChI InChI=1/C22H19ClN6O2/c23-13-5-8-20-17(11-13)27-22(31-20)26-16-12-14-6-7-19(16)28(14)21(30)15-3-1-2-4-18(15)29-24-9-10-25-29/h1-5,8-11,14,16,19H,6-7,12H2,(H,26,27)
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475 -9.05n/an/an/an/an/an/a40



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 US9475819 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0771
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM164086
PNG
(US9062078, 216 | US9475819, 216 | US9637496, 216 |...)
Show SMILES Clc1ccc2oc(NC3CC4CCC3N4C(=O)c3ccccc3-n3nccn3)nc2c1
Show InChI InChI=1/C22H19ClN6O2/c23-13-5-8-20-17(11-13)27-22(31-20)26-16-12-14-6-7-19(16)28(14)21(30)15-3-1-2-4-18(15)29-24-9-10-25-29/h1-5,8-11,14,16,19H,6-7,12H2,(H,26,27)
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475 -9.05n/an/an/an/an/an/a40



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 US9695183 (2017)


BindingDB Entry DOI: 10.7270/Q2N58JHM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM164086
PNG
(US9062078, 216 | US9475819, 216 | US9637496, 216 |...)
Show SMILES Clc1ccc2oc(NC3CC4CCC3N4C(=O)c3ccccc3-n3nccn3)nc2c1
Show InChI InChI=1/C22H19ClN6O2/c23-13-5-8-20-17(11-13)27-22(31-20)26-16-12-14-6-7-19(16)28(14)21(30)15-3-1-2-4-18(15)29-24-9-10-25-29/h1-5,8-11,14,16,19H,6-7,12H2,(H,26,27)
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475n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US9637496 (2017)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM164086
PNG
(US9062078, 216 | US9475819, 216 | US9637496, 216 |...)
Show SMILES Clc1ccc2oc(NC3CC4CCC3N4C(=O)c3ccccc3-n3nccn3)nc2c1
Show InChI InChI=1/C22H19ClN6O2/c23-13-5-8-20-17(11-13)27-22(31-20)26-16-12-14-6-7-19(16)28(14)21(30)15-3-1-2-4-18(15)29-24-9-10-25-29/h1-5,8-11,14,16,19H,6-7,12H2,(H,26,27)
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475 -9.05n/an/an/an/an/an/a40



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)


BindingDB Entry DOI: 10.7270/Q2RX99V3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50318700
PNG
(2-{(5R)-5-Methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2...)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2ccccc2o1
Show InChI InChI=1/C23H24N6O2/c1-16-7-8-20(29-24-10-11-25-29)18(15-16)22(30)28-14-13-27(12-9-17(28)2)23-26-19-5-3-4-6-21(19)31-23/h3-8,10-11,15,17H,9,12-14H2,1-2H3/t17-/s2
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PubMed
n/an/a 57n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium mobilization after 5 mins b...


J Med Chem 53: 5320-32 (2010)


Article DOI: 10.1021/jm100541c
BindingDB Entry DOI: 10.7270/Q29K4C61
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50318700
PNG
(2-{(5R)-5-Methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2...)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2ccccc2o1
Show InChI InChI=1/C23H24N6O2/c1-16-7-8-20(29-24-10-11-25-29)18(15-16)22(30)28-14-13-27(12-9-17(28)2)23-26-19-5-3-4-6-21(19)31-23/h3-8,10-11,15,17H,9,12-14H2,1-2H3/t17-/s2
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n/an/a 24n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium mobilization after 5 mins b...


J Med Chem 53: 5320-32 (2010)


Article DOI: 10.1021/jm100541c
BindingDB Entry DOI: 10.7270/Q29K4C61
More data for this
Ligand-Target Pair