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Compile Data Set for Download or QSAR

Found 8720 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50438807
PNG
(CHEMBL2413517)
Show SMILES CCOc1cccc(c1)C(=O)N(C)[C@H](CCNC(=O)c1cccn1C)Cc1ccccc1
Show InChI InChI=1S/C26H31N3O3/c1-4-32-23-13-8-12-21(19-23)26(31)29(3)22(18-20-10-6-5-7-11-20)15-16-27-25(30)24-14-9-17-28(24)2/h5-14,17,19,22H,4,15-16,18H2,1-3H3,(H,27,30)/t22-/m1/s1
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n/an/an/a 2n/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to orexin receptor 2 (unknown origin)


Bioorg Med Chem Lett 23: 4761-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.057
BindingDB Entry DOI: 10.7270/Q25140NJ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123325
PNG
(US8742106, 1.4)
Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1
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n/an/an/a 3n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123361
PNG
(US8742106, 5.1)
Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1nc(C)cs1)c1ccc(C)cc1
Show InChI InChI=1S/C23H25N5O2S/c1-13-6-8-17(9-7-13)16(4)25-18(29)11-30-19-10-14(2)20-21(23-24-15(3)12-31-23)27-28(5)22(20)26-19/h6-10,12,16H,11H2,1-5H3,(H,25,29)/t16-/m0/s1
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n/an/an/a 3n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123362
PNG
(US8742106, 5.2)
Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1nccs1)c1ccc(C)cc1
Show InChI InChI=1S/C22H23N5O2S/c1-13-5-7-16(8-6-13)15(3)24-17(28)12-29-18-11-14(2)19-20(22-23-9-10-30-22)26-27(4)21(19)25-18/h5-11,15H,12H2,1-4H3,(H,24,28)/t15-/m0/s1
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n/an/an/a 3n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123366
PNG
(US8742106, 5.6)
Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1ncc(C)s1)c1ccc(C)cc1
Show InChI InChI=1S/C23H25N5O2S/c1-13-6-8-17(9-7-13)16(4)25-18(29)12-30-19-10-14(2)20-21(23-24-11-15(3)31-23)27-28(5)22(20)26-19/h6-11,16H,12H2,1-5H3,(H,25,29)/t16-/m0/s1
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n/an/an/a 3n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123325
PNG
(US8742106, 1.4)
Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1
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n/an/an/a 4n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123354
PNG
(US8742106, 4.1)
Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1ncccc1F)c1ccc(C)cc1
Show InChI InChI=1S/C24H24FN5O2/c1-14-7-9-17(10-8-14)16(3)27-19(31)13-32-20-12-15(2)21-23(29-30(4)24(21)28-20)22-18(25)6-5-11-26-22/h5-12,16H,13H2,1-4H3,(H,27,31)/t16-/m0/s1
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n/an/an/a 6n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM102168
PNG
(US8530648, 75)
Show SMILES O=C1CCCC2(CCN(CC2)c2cnc3ccccc3n2)N1Cc1cccc2[nH]ccc12
Show InChI InChI=1S/C26H27N5O/c32-25-9-4-11-26(31(25)18-19-5-3-8-21-20(19)10-14-27-21)12-15-30(16-13-26)24-17-28-22-6-1-2-7-23(22)29-24/h1-3,5-8,10,14,17,27H,4,9,11-13,15-16,18H2
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n/an/an/a 7n/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
Radioligand binding assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123376
PNG
(US8742106, 6.17)
Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(C(F)F)c2c(nn(C)c2n1)-c1ccccc1
Show InChI InChI=1S/C25H24F2N4O3/c1-15(16-9-11-18(33-3)12-10-16)28-20(32)14-34-21-13-19(24(26)27)22-23(17-7-5-4-6-8-17)30-31(2)25(22)29-21/h4-13,15,24H,14H2,1-3H3,(H,28,32)/t15-/m0/s1
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n/an/an/a 7n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50438806
PNG
(CHEMBL2413518)
Show SMILES CCn1nc(C)cc1C(=O)NCC[C@H](Cc1ccccc1)N(C)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C28H33N7O2/c1-5-34-26(18-21(3)32-34)27(36)29-14-13-23(19-22-9-7-6-8-10-22)33(4)28(37)24-17-20(2)11-12-25(24)35-30-15-16-31-35/h6-12,15-18,23H,5,13-14,19H2,1-4H3,(H,29,36)/t23-/m1/s1
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n/an/an/a 7n/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to orexin receptor 2 (unknown origin)


Bioorg Med Chem Lett 23: 4761-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.057
BindingDB Entry DOI: 10.7270/Q25140NJ
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123341
PNG
(US8742106, 1.45)
Show SMILES COc1ccc(cc1)C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)
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n/an/an/a 7n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123327
PNG
(US8742106, 1.6)
Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C
Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)/t12-/m0/s1
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n/an/an/a 8n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM102172
PNG
(US8530648, 94)
Show SMILES O=C1CCCC2(CCN(CC2)c2nc3ccccc3o2)N1Cc1cccc2[nH]ccc12
Show InChI InChI=1S/C25H26N4O2/c30-23-9-4-11-25(29(23)17-18-5-3-7-20-19(18)10-14-26-20)12-15-28(16-13-25)24-27-21-6-1-2-8-22(21)31-24/h1-3,5-8,10,14,26H,4,9,11-13,15-17H2
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n/an/an/a 12n/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
Radioligand binding assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM102293
PNG
(US8530648, 230)
Show SMILES Cc1cc(nc2ccccc12)N1CCC2(CCCN(Cc3c[nH]c4ccccc34)C2=O)CC1
Show InChI InChI=1S/C28H30N4O/c1-20-17-26(30-25-10-5-2-7-22(20)25)31-15-12-28(13-16-31)11-6-14-32(27(28)33)19-21-18-29-24-9-4-3-8-23(21)24/h2-5,7-10,17-18,29H,6,11-16,19H2,1H3
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n/an/an/a 12n/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
Radioligand binding assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123357
PNG
(US8742106, 4.7)
Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1ncccn1)c1ccc(C)cc1
Show InChI InChI=1S/C23H24N6O2/c1-14-6-8-17(9-7-14)16(3)26-18(30)13-31-19-12-15(2)20-21(22-24-10-5-11-25-22)28-29(4)23(20)27-19/h5-12,16H,13H2,1-4H3,(H,26,30)/t16-/m0/s1
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n/an/an/a 13n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123392
PNG
(US8742106, 6.42)
Show SMILES COc1ccc2[C@H](CCc2c1)NC(=O)COc1cc(C(F)F)c2c(nn(C)c2n1)C1CC1
Show InChI InChI=1S/C23H24F2N4O3/c1-29-23-20(21(28-29)12-3-4-12)16(22(24)25)10-19(27-23)32-11-18(30)26-17-8-5-13-9-14(31-2)6-7-15(13)17/h6-7,9-10,12,17,22H,3-5,8,11H2,1-2H3,(H,26,30)/t17-/m0/s1
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n/an/an/a 14n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123373
PNG
(US8742106, 6.13)
Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)C1CC1)C(F)(F)F)c1ccc(C)cc1
Show InChI InChI=1S/C22H23F3N4O2/c1-12-4-6-14(7-5-12)13(2)26-17(30)11-31-18-10-16(22(23,24)25)19-20(15-8-9-15)28-29(3)21(19)27-18/h4-7,10,13,15H,8-9,11H2,1-3H3,(H,26,30)/t13-/m0/s1
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n/an/an/a 14n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123338
PNG
(US8742106, 1.38)
Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C
Show InChI InChI=1S/C23H23F3N6O2/c1-12(19-13(2)29-30-14(19)3)27-17(33)11-34-18-10-16(23(24,25)26)20-21(15-8-6-5-7-9-15)31-32(4)22(20)28-18/h5-10,12H,11H2,1-4H3,(H,27,33)(H,29,30)
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n/an/an/a 16n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123405
PNG
(US8742106, 7.11)
Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)C1CC1)c1ccc(C)cc1
Show InChI InChI=1S/C22H26N4O2/c1-13-5-7-16(8-6-13)15(3)23-18(27)12-28-19-11-14(2)20-21(17-9-10-17)25-26(4)22(20)24-19/h5-8,11,15,17H,9-10,12H2,1-4H3,(H,23,27)/t15-/m0/s1
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n/an/an/a 17n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123388
PNG
(US8742106, 6.37)
Show SMILES COc1ccnc(c1)-c1nn(C)c2nc(OCC(=O)N[C@@H](C)c3ccc(C)cc3)cc(C)c12
Show InChI InChI=1S/C25H27N5O3/c1-15-6-8-18(9-7-15)17(3)27-21(31)14-33-22-12-16(2)23-24(29-30(4)25(23)28-22)20-13-19(32-5)10-11-26-20/h6-13,17H,14H2,1-5H3,(H,27,31)/t17-/m0/s1
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n/an/an/a 17n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123355
PNG
(US8742106, 4.2)
Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1ncco1)c1ccc(C)cc1
Show InChI InChI=1S/C22H23N5O3/c1-13-5-7-16(8-6-13)15(3)24-17(28)12-30-18-11-14(2)19-20(22-23-9-10-29-22)26-27(4)21(19)25-18/h5-11,15H,12H2,1-4H3,(H,24,28)/t15-/m0/s1
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n/an/an/a 17n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123393
PNG
(US8742106, 6.43)
Show SMILES COc1ccc2[C@H](CCc2c1)NC(=O)COc1cc(c2c(nn(C)c2n1)C1CC1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O3/c1-30-22-20(21(29-30)12-3-4-12)16(23(24,25)26)10-19(28-22)33-11-18(31)27-17-8-5-13-9-14(32-2)6-7-15(13)17/h6-7,9-10,12,17H,3-5,8,11H2,1-2H3,(H,27,31)/t17-/m0/s1
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n/an/an/a 18n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123359
PNG
(US8742106, 4.9)
Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1ccc(C)cn1)c1ccc(C)cc1
Show InChI InChI=1S/C25H27N5O2/c1-15-6-9-19(10-7-15)18(4)27-21(31)14-32-22-12-17(3)23-24(29-30(5)25(23)28-22)20-11-8-16(2)13-26-20/h6-13,18H,14H2,1-5H3,(H,27,31)/t18-/m0/s1
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n/an/an/a 19n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123363
PNG
(US8742106, 5.3)
Show SMILES COc1ccnc(n1)-c1nn(C)c2nc(OCC(=O)N[C@@H](C)c3ccc(C)cc3)cc(C)c12
Show InChI InChI=1S/C24H26N6O3/c1-14-6-8-17(9-7-14)16(3)26-18(31)13-33-20-12-15(2)21-22(29-30(4)24(21)28-20)23-25-11-10-19(27-23)32-5/h6-12,16H,13H2,1-5H3,(H,26,31)/t16-/m0/s1
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n/an/an/a 19n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123372
PNG
(US8742106, 6.8)
Show SMILES C[C@H](NC(=O)COc1cc(C(F)F)c2c(nn(C)c2n1)C1CC1)c1ccc(C)cc1
Show InChI InChI=1S/C22H24F2N4O2/c1-12-4-6-14(7-5-12)13(2)25-17(29)11-30-18-10-16(21(23)24)19-20(15-8-9-15)27-28(3)22(19)26-18/h4-7,10,13,15,21H,8-9,11H2,1-3H3,(H,25,29)/t13-/m0/s1
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n/an/an/a 19n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123349
PNG
(US8742106, 1.67)
Show SMILES COc1ccc(cn1)C(C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C24H22F3N5O3/c1-14(16-9-10-19(34-3)28-12-16)29-18(33)13-35-20-11-17(24(25,26)27)21-22(15-7-5-4-6-8-15)31-32(2)23(21)30-20/h4-12,14H,13H2,1-3H3,(H,29,33)
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n/an/an/a 20n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123367
PNG
(US8742106, 5.7)
Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1cccc(C)n1)c1ccc(C)cc1
Show InChI InChI=1S/C25H27N5O2/c1-15-9-11-19(12-10-15)18(4)27-21(31)14-32-22-13-16(2)23-24(29-30(5)25(23)28-22)20-8-6-7-17(3)26-20/h6-13,18H,14H2,1-5H3,(H,27,31)/t18-/m0/s1
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n/an/an/a 21n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123354
PNG
(US8742106, 4.1)
Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1ncccc1F)c1ccc(C)cc1
Show InChI InChI=1S/C24H24FN5O2/c1-14-7-9-17(10-8-14)16(3)27-19(31)13-32-20-12-15(2)21-23(29-30(4)24(21)28-20)22-18(25)6-5-11-26-22/h5-12,16H,13H2,1-4H3,(H,27,31)/t16-/m0/s1
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n/an/an/a 22n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123358
PNG
(US8742106, 4.8)
Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1cnccn1)c1ccc(C)cc1
Show InChI InChI=1S/C23H24N6O2/c1-14-5-7-17(8-6-14)16(3)26-19(30)13-31-20-11-15(2)21-22(18-12-24-9-10-25-18)28-29(4)23(21)27-20/h5-12,16H,13H2,1-4H3,(H,26,30)/t16-/m0/s1
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n/an/an/a 22n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123406
PNG
(US8742106, 6.5)
Show SMILES COc1ccc2[C@H](CCc2c1)NC(=O)COc1cc(C)c2c(nn(C)c2n1)C1CC1
Show InChI InChI=1S/C23H26N4O3/c1-13-10-20(25-23-21(13)22(14-4-5-14)26-27(23)2)30-12-19(28)24-18-9-6-15-11-16(29-3)7-8-17(15)18/h7-8,10-11,14,18H,4-6,9,12H2,1-3H3,(H,24,28)/t18-/m0/s1
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n/an/an/a 24n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM102258
PNG
(US8530648, 195)
Show SMILES Nc1ccccc1C(=N)CN1CCCC2(CCN(CC2)c2cnc3ccccc3n2)C1=O
Show InChI InChI=1S/C25H28N6O/c26-19-7-2-1-6-18(19)20(27)17-31-13-5-10-25(24(31)32)11-14-30(15-12-25)23-16-28-21-8-3-4-9-22(21)29-23/h1-4,6-9,16,27H,5,10-15,17,26H2
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n/an/an/a 25n/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
Radioligand binding assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123364
PNG
(US8742106, 5.4)
Show SMILES C[C@H](NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1cncs1)c1ccc(C)cc1
Show InChI InChI=1S/C22H23N5O2S/c1-13-5-7-16(8-6-13)15(3)24-18(28)11-29-19-9-14(2)20-21(17-10-23-12-30-17)26-27(4)22(20)25-19/h5-10,12,15H,11H2,1-4H3,(H,24,28)/t15-/m0/s1
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n/an/an/a 26n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123371
PNG
(US8742106, 6.7)
Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(C(F)F)c2c(nn(C)c2n1)C1CC1
Show InChI InChI=1S/C22H24F2N4O3/c1-12(13-6-8-15(30-3)9-7-13)25-17(29)11-31-18-10-16(21(23)24)19-20(14-4-5-14)27-28(2)22(19)26-18/h6-10,12,14,21H,4-5,11H2,1-3H3,(H,25,29)/t12-/m0/s1
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n/an/an/a 27n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123394
PNG
(US8742106, 6.44)
Show SMILES Cc1ccc2[C@H](CCc2c1)NC(=O)COc1cc(C)c2c(nn(C)c2n1)C1CC1
Show InChI InChI=1S/C23H26N4O2/c1-13-4-8-17-16(10-13)7-9-18(17)24-19(28)12-29-20-11-14(2)21-22(15-5-6-15)26-27(3)23(21)25-20/h4,8,10-11,15,18H,5-7,9,12H2,1-3H3,(H,24,28)/t18-/m0/s1
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n/an/an/a 28n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123329
PNG
(US8742106, 1.16)
Show SMILES CC(CCc1ccccc1)NC(=O)COc1cc(C)c2c(nn(C)c2n1)-c1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-18-16-23(28-26-24(18)25(29-30(26)3)21-12-8-5-9-13-21)32-17-22(31)27-19(2)14-15-20-10-6-4-7-11-20/h4-13,16,19H,14-15,17H2,1-3H3,(H,27,31)
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n/an/an/a 28n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123378
PNG
(US8742106, 6.21)
Show SMILES C[C@H](NC(=O)COc1cc(C(F)F)c2c(nn(C)c2n1)-c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C25H24F2N4O2/c1-15-9-11-17(12-10-15)16(2)28-20(32)14-33-21-13-19(24(26)27)22-23(18-7-5-4-6-8-18)30-31(3)25(22)29-21/h4-13,16,24H,14H2,1-3H3,(H,28,32)/t16-/m0/s1
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n/an/an/a 30n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123372
PNG
(US8742106, 6.8)
Show SMILES C[C@H](NC(=O)COc1cc(C(F)F)c2c(nn(C)c2n1)C1CC1)c1ccc(C)cc1
Show InChI InChI=1S/C22H24F2N4O2/c1-12-4-6-14(7-5-12)13(2)25-17(29)11-30-18-10-16(21(23)24)19-20(15-8-9-15)27-28(3)22(19)26-18/h4-7,10,13,15,21H,8-9,11H2,1-3H3,(H,25,29)/t13-/m0/s1
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n/an/an/a 32n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM102306
PNG
(US8530648, 243)
Show SMILES O=C1N(Cc2cccc(c2)-n2nccn2)CCCC11CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C26H27N7O/c34-25-26(10-15-31(16-11-26)24-18-27-22-7-1-2-8-23(22)30-24)9-4-14-32(25)19-20-5-3-6-21(17-20)33-28-12-13-29-33/h1-3,5-8,12-13,17-18H,4,9-11,14-16,19H2
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n/an/an/a 34n/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
Radioligand binding assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM102132
PNG
(US8530648, 29)
Show SMILES O=C1N(Cc2cccc3ccccc23)CCCC11CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C28H28N4O/c33-27-28(13-6-16-32(27)20-22-9-5-8-21-7-1-2-10-23(21)22)14-17-31(18-15-28)26-19-29-24-11-3-4-12-25(24)30-26/h1-5,7-12,19H,6,13-18,20H2
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n/an/an/a 34n/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
Radioligand binding assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM102171
PNG
(US8530648, 85)
Show SMILES Cc1ccc(C)c(CN2C(=O)CCCC22CCN(CC2)c2cnc3ccccc3n2)c1
Show InChI InChI=1S/C26H30N4O/c1-19-9-10-20(2)21(16-19)18-30-25(31)8-5-11-26(30)12-14-29(15-13-26)24-17-27-22-6-3-4-7-23(22)28-24/h3-4,6-7,9-10,16-17H,5,8,11-15,18H2,1-2H3
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n/an/an/a 36n/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
Radioligand binding assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM102224
PNG
(US8530648, 161)
Show SMILES O=C1N(Cc2ncoc2-c2ccccc2)CCCC11CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C27H27N5O2/c33-26-27(12-15-31(16-13-27)24-17-28-21-9-4-5-10-22(21)30-24)11-6-14-32(26)18-23-25(34-19-29-23)20-7-2-1-3-8-20/h1-5,7-10,17,19H,6,11-16,18H2
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n/an/an/a 36n/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
Radioligand binding assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123375
PNG
(US8742106, 6.15)
Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)C1CC1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O3/c1-12(13-6-8-15(31-3)9-7-13)26-17(30)11-32-18-10-16(22(23,24)25)19-20(14-4-5-14)28-29(2)21(19)27-18/h6-10,12,14H,4-5,11H2,1-3H3,(H,26,30)/t12-/m0/s1
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n/an/an/a 37n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123365
PNG
(US8742106, 5.5)
Show SMILES COc1nc(cs1)-c1nn(C)c2nc(OCC(=O)N[C@@H](C)c3ccc(C)cc3)cc(C)c12
Show InChI InChI=1S/C23H25N5O3S/c1-13-6-8-16(9-7-13)15(3)24-18(29)11-31-19-10-14(2)20-21(27-28(4)22(20)26-19)17-12-32-23(25-17)30-5/h6-10,12,15H,11H2,1-5H3,(H,24,29)/t15-/m0/s1
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n/an/an/a 37n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123369
PNG
(US8742106, 6.3)
Show SMILES COc1ccc2C(CCc2c1)NC(=O)COc1cc(C)c2c(nn(C)c2n1)C1CC1
Show InChI InChI=1S/C23H26N4O3/c1-13-10-20(25-23-21(13)22(14-4-5-14)26-27(23)2)30-12-19(28)24-18-9-6-15-11-16(29-3)7-8-17(15)18/h7-8,10-11,14,18H,4-6,9,12H2,1-3H3,(H,24,28)
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n/an/an/a 39n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM102303
PNG
(US8530648, 240)
Show SMILES O=C1C(Cc2c[nH]c3ccccc23)NCCC11CCN(CC1)c1nccc(n1)-n1cccn1
Show InChI InChI=1S/C25H27N7O/c33-23-21(16-18-17-28-20-5-2-1-4-19(18)20)26-12-7-25(23)8-14-31(15-9-25)24-27-11-6-22(30-24)32-13-3-10-29-32/h1-6,10-11,13,17,21,26,28H,7-9,12,14-16H2
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n/an/an/a 41n/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
Radioligand binding assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123379
PNG
(US8742106, 6.22)
Show SMILES COc1ccc(cn1)C(C)NC(=O)COc1cc(C(F)F)c2c(nn(C)c2n1)-c1ccccc1
Show InChI InChI=1S/C24H23F2N5O3/c1-14(16-9-10-19(33-3)27-12-16)28-18(32)13-34-20-11-17(23(25)26)21-22(15-7-5-4-6-8-15)30-31(2)24(21)29-20/h4-12,14,23H,13H2,1-3H3,(H,28,32)
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n/an/an/a 42n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123398
PNG
(US8742106, 6.63)
Show SMILES Cc1ccc2[C@H](CCc2n1)NC(=O)COc1cc(C)c2c(nn(C)c2n1)C1CC1
Show InChI InChI=1S/C22H25N5O2/c1-12-10-19(25-22-20(12)21(14-5-6-14)26-27(22)3)29-11-18(28)24-17-9-8-16-15(17)7-4-13(2)23-16/h4,7,10,14,17H,5-6,8-9,11H2,1-3H3,(H,24,28)/t17-/m0/s1
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n/an/an/a 42n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM102131
PNG
(US8530648, 28)
Show SMILES O=C1N(Cc2c[nH]c3ccccc23)CCCC11CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C26H27N5O/c32-25-26(10-5-13-31(25)18-19-16-27-21-7-2-1-6-20(19)21)11-14-30(15-12-26)24-17-28-22-8-3-4-9-23(22)29-24/h1-4,6-9,16-17,27H,5,10-15,18H2
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n/an/an/a 42n/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
Radioligand binding assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM102272
PNG
(US8530648, 209)
Show SMILES Cn1cc(CN2C(=O)CCCC22CCN(CC2)c2cnc3ccccc3n2)c2cccnc12
Show InChI InChI=1S/C26H28N6O/c1-30-17-19(20-6-5-13-27-25(20)30)18-32-24(33)9-4-10-26(32)11-14-31(15-12-26)23-16-28-21-7-2-3-8-22(21)29-23/h2-3,5-8,13,16-17H,4,9-12,14-15,18H2,1H3
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n/an/an/a 50n/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
Radioligand binding assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123350
PNG
(US8742106, 1.70)
Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)nn(C)c1C
Show InChI InChI=1S/C24H25F3N6O2/c1-13(20-14(2)30-32(4)15(20)3)28-18(34)12-35-19-11-17(24(25,26)27)21-22(16-9-7-6-8-10-16)31-33(5)23(21)29-19/h6-11,13H,12H2,1-5H3,(H,28,34)
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n/an/an/a 50n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
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