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Compile Data Set for Download or QSAR

Found 190 hits of ph data with Target = 'Orexin receptor type 1'   
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 1


(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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13n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(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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20n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102264
PNG
(US8530648, 201)
Show SMILES O=C1CCCC2(CCN(CC2)c2cnc3ccccc3n2)N1Cc1noc2ccccc12
Show InChI InChI=1S/C25H25N5O2/c31-24-10-5-11-25(30(24)17-21-18-6-1-4-9-22(18)32-28-21)12-14-29(15-13-25)23-16-26-19-7-2-3-8-20(19)27-23/h1-4,6-9,16H,5,10-15,17H2
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24.2n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102174
PNG
(US8530648, 98)
Show SMILES Cn1ccc2c(CN3C(=O)CCCC33CCN(CC3)c3cnc4ccccc4n3)cccc12
Show InChI InChI=1S/C27H29N5O/c1-30-15-11-21-20(6-4-9-24(21)30)19-32-26(33)10-5-12-27(32)13-16-31(17-14-27)25-18-28-22-7-2-3-8-23(22)29-25/h2-4,6-9,11,15,18H,5,10,12-14,16-17,19H2,1H3
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64n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(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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77n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102135
PNG
(US8530648, 32)
Show SMILES O=C1N(Cc2cccc(c2)-c2cccnc2)CCCC11CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C29H29N5O/c35-28-29(12-16-33(17-13-29)27-20-31-25-9-1-2-10-26(25)32-27)11-5-15-34(28)21-22-6-3-7-23(18-22)24-8-4-14-30-19-24/h1-4,6-10,14,18-20H,5,11-13,15-17,21H2
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83n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102276
PNG
(US8530648, 213)
Show SMILES Cc1cnc(o1)-c1cccc(CN2CCCC3(CCN(CC3)c3cnc4ccccc4n3)C2=O)c1
Show InChI InChI=1S/C28H29N5O2/c1-20-17-30-26(35-20)22-7-4-6-21(16-22)19-33-13-5-10-28(27(33)34)11-14-32(15-12-28)25-18-29-23-8-2-3-9-24(23)31-25/h2-4,6-9,16-18H,5,10-15,19H2,1H3
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94n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(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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115n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(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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126n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(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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159n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(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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223n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102173
PNG
(US8530648, 97)
Show SMILES O=C1CCCC2(CCN(CC2)c2cnc3ccccc3n2)N1Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C26H27N5O/c32-25-10-5-11-26(31(25)18-19-16-27-21-7-2-1-6-20(19)21)12-14-30(15-13-26)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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236n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(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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259n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(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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314n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102194
PNG
(US8530648, 131)
Show SMILES O=C1N(Cc2cccc(c2)-c2cnccn2)CCCC11CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C28H28N6O/c35-27-28(10-15-33(16-11-28)26-19-31-23-7-1-2-8-24(23)32-26)9-4-14-34(27)20-21-5-3-6-22(17-21)25-18-29-12-13-30-25/h1-3,5-8,12-13,17-19H,4,9-11,14-16,20H2
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357n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102143
PNG
(US8530648, 40)
Show SMILES Cc1cc2c(CN3CCCC4(CCN(CC4)c4cnc5ccccc5n4)C3=O)cccc2[nH]1
Show InChI InChI=1S/C27H29N5O/c1-19-16-21-20(6-4-9-22(21)29-19)18-32-13-5-10-27(26(32)33)11-14-31(15-12-27)25-17-28-23-7-2-3-8-24(23)30-25/h2-4,6-9,16-17,29H,5,10-15,18H2,1H3
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365n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102190
PNG
(US8530648, 127)
Show SMILES O=C1N(Cc2cccc(c2)-c2ncccn2)CCCC11CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C28H28N6O/c35-27-28(11-16-33(17-12-28)25-19-31-23-8-1-2-9-24(23)32-25)10-4-15-34(27)20-21-6-3-7-22(18-21)26-29-13-5-14-30-26/h1-3,5-9,13-14,18-19H,4,10-12,15-17,20H2
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373n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102189
PNG
(US8530648, 126)
Show SMILES O=C1N(Cc2cccc(c2)-n2cccn2)CCCC11CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C27H28N6O/c34-26-27(11-16-31(17-12-27)25-19-28-23-8-1-2-9-24(23)30-25)10-4-14-32(26)20-21-6-3-7-22(18-21)33-15-5-13-29-33/h1-3,5-9,13,15,18-19H,4,10-12,14,16-17,20H2
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391n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102183
PNG
(US8530648, 120)
Show SMILES O=C1N(Cc2cccc(c2)-c2ccccn2)CCCC11CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C29H29N5O/c35-28-29(13-17-33(18-14-29)27-20-31-25-10-1-2-11-26(25)32-27)12-6-16-34(28)21-22-7-5-8-23(19-22)24-9-3-4-15-30-24/h1-5,7-11,15,19-20H,6,12-14,16-18,21H2
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420n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102259
PNG
(US8530648, 196)
Show SMILES Cn1cc(CN2CCCC3(CCN(CC3)c3cnc4ccccc4n3)C2=O)c2ccccc12
Show InChI InChI=1S/C27H29N5O/c1-30-18-20(21-7-2-5-10-24(21)30)19-32-14-6-11-27(26(32)33)12-15-31(16-13-27)25-17-28-22-8-3-4-9-23(22)29-25/h2-5,7-10,17-18H,6,11-16,19H2,1H3
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422n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102227
PNG
(US8530648, 164)
Show SMILES Cc1nc(no1)-c1cccc(CN2CCCC3(CCN(CC3)c3cnc4ccccc4n3)C2=O)c1
Show InChI InChI=1S/C27H28N6O2/c1-19-29-25(31-35-19)21-7-4-6-20(16-21)18-33-13-5-10-27(26(33)34)11-14-32(15-12-27)24-17-28-22-8-2-3-9-23(22)30-24/h2-4,6-9,16-17H,5,10-15,18H2,1H3
PDB

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425n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102202
PNG
(US8530648, 139)
Show SMILES Cc1nc(CN2CCCC3(CCN(CC3)c3cnc4ccccc4n3)C2=O)c(s1)-c1cccc(F)c1
Show InChI InChI=1S/C28H28FN5OS/c1-19-31-24(26(36-19)20-6-4-7-21(29)16-20)18-34-13-5-10-28(27(34)35)11-14-33(15-12-28)25-17-30-22-8-2-3-9-23(22)32-25/h2-4,6-9,16-17H,5,10-15,18H2,1H3
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438n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102294
PNG
(US8530648, 231)
Show SMILES O=C1N(Cc2c[nH]c3ccccc23)CCCC11CCN(CC1)c1cc(ncn1)-c1ccccc1
Show InChI InChI=1S/C28H29N5O/c34-27-28(11-6-14-33(27)19-22-18-29-24-10-5-4-9-23(22)24)12-15-32(16-13-28)26-17-25(30-20-31-26)21-7-2-1-3-8-21/h1-5,7-10,17-18,20,29H,6,11-16,19H2
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468n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102133
PNG
(CHEMBL2435408 | US8530648, 30)
Show SMILES O=C1N(Cc2cccc3[nH]ccc23)CCCC11CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C26H27N5O/c32-25-26(10-4-14-31(25)18-19-5-3-8-21-20(19)9-13-27-21)11-15-30(16-12-26)24-17-28-22-6-1-2-7-23(22)29-24/h1-3,5-9,13,17,27H,4,10-12,14-16,18H2
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474n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(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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482n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102266
PNG
(US8530648, 137)
Show SMILES O=C1CCCC2(CCN(CC2)c2nnc(o2)-c2ccccc2)N1Cc1cccc2[nH]ccc12
Show InChI InChI=1S/C26H27N5O2/c32-23-10-5-12-26(31(23)18-20-8-4-9-22-21(20)11-15-27-22)13-16-30(17-14-26)25-29-28-24(33-25)19-6-2-1-3-7-19/h1-4,6-9,11,15,27H,5,10,12-14,16-18H2
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509n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102152
PNG
(US8530648, 49)
Show SMILES O=C1N(Cc2cccc(c2)-c2ccccc2)CCCC11CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C30H30N4O/c35-29-30(15-18-33(19-16-30)28-21-31-26-12-4-5-13-27(26)32-28)14-7-17-34(29)22-23-8-6-11-25(20-23)24-9-2-1-3-10-24/h1-6,8-13,20-21H,7,14-19,22H2
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518n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102268
PNG
(US8530648, 205)
Show SMILES Clc1ccc2nc(oc2c1)N1CCC2(CCCC(=O)N2Cc2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C25H25ClN4O2/c26-18-6-7-21-22(15-18)32-24(28-21)29-13-10-25(11-14-29)9-2-5-23(31)30(25)16-17-3-1-4-20-19(17)8-12-27-20/h1,3-4,6-8,12,15,27H,2,5,9-11,13-14,16H2
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541n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102187
PNG
(US8530648, 124)
Show SMILES O=C1N(Cc2cccc(c2)-c2ccncc2)CCCC11CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C29H29N5O/c35-28-29(12-17-33(18-13-29)27-20-31-25-7-1-2-8-26(25)32-27)11-4-16-34(28)21-22-5-3-6-24(19-22)23-9-14-30-15-10-23/h1-3,5-10,14-15,19-20H,4,11-13,16-18,21H2
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570n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102289
PNG
(US8530648, 226)
Show SMILES O=C1N(Cc2c[nH]c3ccccc23)CCCC11CCN(CC1)c1ccc2ccccc2n1
Show InChI InChI=1S/C27H28N4O/c32-26-27(12-5-15-31(26)19-21-18-28-24-9-4-2-7-22(21)24)13-16-30(17-14-27)25-11-10-20-6-1-3-8-23(20)29-25/h1-4,6-11,18,28H,5,12-17,19H2
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571n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102166
PNG
(US8530648, 63)
Show SMILES O=C1N(Cc2noc3ccccc23)CCCC11CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C25H25N5O2/c31-24-25(10-5-13-30(24)17-21-18-6-1-4-9-22(18)32-28-21)11-14-29(15-12-25)23-16-26-19-7-2-3-8-20(19)27-23/h1-4,6-9,16H,5,10-15,17H2
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591n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102156
PNG
(US8530648, 53)
Show SMILES Cn1ccc2c(CN3CCCC4(CCN(CC4)c4cnc5ccccc5n4)C3=O)cccc12
Show InChI InChI=1S/C27H29N5O/c1-30-15-10-21-20(6-4-9-24(21)30)19-32-14-5-11-27(26(32)33)12-16-31(17-13-27)25-18-28-22-7-2-3-8-23(22)29-25/h2-4,6-10,15,18H,5,11-14,16-17,19H2,1H3
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614n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102285
PNG
(US8530648, 222)
Show SMILES O=C1N(Cc2c[nH]c3ccccc23)CCCC11CCN(CC1)c1nccc2occc12
Show InChI InChI=1S/C25H26N4O2/c30-24-25(8-3-12-29(24)17-18-16-27-21-5-2-1-4-19(18)21)9-13-28(14-10-25)23-20-7-15-31-22(20)6-11-26-23/h1-2,4-7,11,15-16,27H,3,8-10,12-14,17H2
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623n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102283
PNG
(US8530648, 220)
Show SMILES O=C1N(Cc2c[nH]c3ccccc23)CCCC11CCN(CC1)c1nccc(n1)-c1ccccc1
Show InChI InChI=1S/C28H29N5O/c34-26-28(12-6-16-33(26)20-22-19-30-25-10-5-4-9-23(22)25)13-17-32(18-14-28)27-29-15-11-24(31-27)21-7-2-1-3-8-21/h1-5,7-11,15,19,30H,6,12-14,16-18,20H2
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646n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102265
PNG
(US8530648, 202)
Show SMILES Clc1ccc2oc(nc2c1)N1CCC2(CCCC(=O)N2Cc2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C25H25ClN4O2/c26-18-6-7-22-21(15-18)28-24(32-22)29-13-10-25(11-14-29)9-2-5-23(31)30(25)16-17-3-1-4-20-19(17)8-12-27-20/h1,3-4,6-8,12,15,27H,2,5,9-11,13-14,16H2
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657n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102269
PNG
(US8530648, 206)
Show SMILES Cc1ccc2oc(nc2c1)N1CCC2(CCCC(=O)N2Cc2cccc3[nH]ccc23)CC1
Show InChI InChI=1S/C26H28N4O2/c1-18-7-8-23-22(16-18)28-25(32-23)29-14-11-26(12-15-29)10-3-6-24(31)30(26)17-19-4-2-5-21-20(19)9-13-27-21/h2,4-5,7-9,13,16,27H,3,6,10-12,14-15,17H2,1H3
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662n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102296
PNG
(US8530648, 233)
Show SMILES O=C1N(Cc2c[nH]c3ccccc23)CCCC11CCN(CC1)c1cc2nccnc2cn1
Show InChI InChI=1S/C25H26N6O/c32-24-25(6-3-11-31(24)17-18-15-28-20-5-2-1-4-19(18)20)7-12-30(13-8-25)23-14-21-22(16-29-23)27-10-9-26-21/h1-2,4-5,9-10,14-16,28H,3,6-8,11-13,17H2
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665n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102203
PNG
(US8530648, 140)
Show SMILES CC(N1CCCC2(CCN(CC2)c2cnc3ccccc3n2)C1=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C27H29N5O/c1-19(21-17-28-22-8-3-2-7-20(21)22)32-14-6-11-27(26(32)33)12-15-31(16-13-27)25-18-29-23-9-4-5-10-24(23)30-25/h2-5,7-10,17-19,28H,6,11-16H2,1H3
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675n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102249
PNG
(US8530648, 186)
Show SMILES Fc1cc(CN2CCCC3(CCN(CC3)c3cnc4ccccc4n3)C2=O)c2OCOCc2c1
Show InChI InChI=1S/C26H27FN4O3/c27-20-12-18(24-19(13-20)16-33-17-34-24)15-31-9-3-6-26(25(31)32)7-10-30(11-8-26)23-14-28-21-4-1-2-5-22(21)29-23/h1-2,4-5,12-14H,3,6-11,15-17H2
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700n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102236
PNG
(US8530648, 173)
Show SMILES CNc1c(CN2CCCC3(CCN(CC3)c3cnc4ccccc4n3)C2=O)cccc1C=N
Show InChI InChI=1S/C26H30N6O/c1-28-24-19(16-27)6-4-7-20(24)18-32-13-5-10-26(25(32)33)11-14-31(15-12-26)23-17-29-21-8-2-3-9-22(21)30-23/h2-4,6-9,16-17,27-28H,5,10-15,18H2,1H3
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728n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102157
PNG
(US8530648, 54)
Show SMILES Clc1cccc(CN2CCCC3(CCN(CC3)c3cnc4ccccc4n3)C2=O)c1
Show InChI InChI=1S/C24H25ClN4O/c25-19-6-3-5-18(15-19)17-29-12-4-9-24(23(29)30)10-13-28(14-11-24)22-16-26-20-7-1-2-8-21(20)27-22/h1-3,5-8,15-16H,4,9-14,17H2
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740n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102279
PNG
(US8530648, 216)
Show SMILES O=C1N(Cc2ccccc2-c2ccco2)CCCC11CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C28H28N4O2/c33-27-28(13-16-31(17-14-28)26-19-29-23-9-3-4-10-24(23)30-26)12-6-15-32(27)20-21-7-1-2-8-22(21)25-11-5-18-34-25/h1-5,7-11,18-19H,6,12-17,20H2
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744n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(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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747n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102192
PNG
(US8530648, 129)
Show SMILES O=C1N(Cc2ccnc(c2)-n2cccn2)CCCC11CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C26H27N7O/c34-25-26(9-15-31(16-10-26)24-18-28-21-5-1-2-6-22(21)30-24)8-3-13-32(25)19-20-7-12-27-23(17-20)33-14-4-11-29-33/h1-2,4-7,11-12,14,17-18H,3,8-10,13,15-16,19H2
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900n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102139
PNG
(US8530648, 36)
Show SMILES O=C1N(Cc2cccc3OCOc23)CCCC11CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C25H26N4O3/c30-24-25(9-4-12-29(24)16-18-5-3-8-21-23(18)32-17-31-21)10-13-28(14-11-25)22-15-26-19-6-1-2-7-20(19)27-22/h1-3,5-8,15H,4,9-14,16-17H2
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904n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102271
PNG
(US8530648, 208)
Show SMILES CNc1ccccc1C(=N)CN1CCCC2(CCN(CC2)c2cnc3ccccc3n2)C1=O
Show InChI InChI=1S/C26H30N6O/c1-28-21-8-3-2-7-19(21)20(27)18-32-14-6-11-26(25(32)33)12-15-31(16-13-26)24-17-29-22-9-4-5-10-23(22)30-24/h2-5,7-10,17,27-28H,6,11-16,18H2,1H3
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925n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102253
PNG
(US8530648, 190)
Show SMILES O=C1N(Cc2ccccc2C#N)CCCC11CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C25H25N5O/c26-16-19-6-1-2-7-20(19)18-30-13-5-10-25(24(30)31)11-14-29(15-12-25)23-17-27-21-8-3-4-9-22(21)28-23/h1-4,6-9,17H,5,10-15,18H2
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932n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102184
PNG
(US8530648, 121)
Show SMILES O=C1N(Cc2cccc3cnccc23)CCCC11CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C27H27N5O/c33-26-27(10-4-14-32(26)19-21-6-3-5-20-17-28-13-9-22(20)21)11-15-31(16-12-27)25-18-29-23-7-1-2-8-24(23)30-25/h1-3,5-9,13,17-18H,4,10-12,14-16,19H2
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932n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102150
PNG
(US8530648, 47)
Show SMILES Cc1ccc(C)c(CN2CCCC3(CCN(CC3)c3cnc4ccccc4n3)C2=O)c1
Show InChI InChI=1S/C26H30N4O/c1-19-8-9-20(2)21(16-19)18-30-13-5-10-26(25(30)31)11-14-29(15-12-26)24-17-27-22-6-3-4-7-23(22)28-24/h3-4,6-9,16-17H,5,10-15,18H2,1-2H3
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945n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM102144
PNG
(US8530648, 41)
Show SMILES FC(F)(F)c1cccc(CN2CCCC3(CCN(CC3)c3cnc4ccccc4n3)C2=O)c1
Show InChI InChI=1S/C25H25F3N4O/c26-25(27,28)19-6-3-5-18(15-19)17-32-12-4-9-24(23(32)33)10-13-31(14-11-24)22-16-29-20-7-1-2-8-21(20)30-22/h1-3,5-8,15-16H,4,9-14,17H2
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948n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
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