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Compile Data Set for Download or QSAR

Found 218 hits of ph data 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))
BDBM106968
PNG
(US8592457, 1-5)
Show SMILES COc1ccc(CNC(=O)c2cc(ncc2-c2ccccc2)-c2cncc(C)c2)nc1OC
Show InChI InChI=1S/C26H24N4O3/c1-17-11-19(14-27-13-17)23-12-21(22(16-28-23)18-7-5-4-6-8-18)25(31)29-15-20-9-10-24(32-2)26(30-20)33-3/h4-14,16H,15H2,1-3H3,(H,29,31)
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0.720 -54.3n/an/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay methodology using FLIPR Ca2+ Flux Assay (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001).


US Patent US8592457 (2013)


BindingDB Entry DOI: 10.7270/Q2251GTW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM106970
PNG
(US8592457, 1-16)
Show SMILES COc1ccc(CNC(=O)c2cc(ncc2-c2cccc(F)c2)-c2cncc(C)c2)nc1OC
Show InChI InChI=1S/C26H23FN4O3/c1-16-9-18(13-28-12-16)23-11-21(22(15-29-23)17-5-4-6-19(27)10-17)25(32)30-14-20-7-8-24(33-2)26(31-20)34-3/h4-13,15H,14H2,1-3H3,(H,30,32)
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0.910 -53.7n/an/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay methodology using FLIPR Ca2+ Flux Assay (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001).


US Patent US8592457 (2013)


BindingDB Entry DOI: 10.7270/Q2251GTW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM106971
PNG
(US8592457, 7-5)
Show SMILES COc1ccc(CNC(=O)c2cc(ncc2-c2nccs2)-c2cncc(C)c2)nc1OC
Show InChI InChI=1S/C23H21N5O3S/c1-14-8-15(11-24-10-14)19-9-17(18(13-26-19)23-25-6-7-32-23)21(29)27-12-16-4-5-20(30-2)22(28-16)31-3/h4-11,13H,12H2,1-3H3,(H,27,29)
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0.950 -53.6n/an/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay methodology using FLIPR Ca2+ Flux Assay (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001).


US Patent US8592457 (2013)


BindingDB Entry DOI: 10.7270/Q2251GTW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM106972
PNG
(US8592457, 7-7)
Show SMILES COc1nc(CNC(=O)c2cc(ncc2-c2nccs2)-c2cncc(C)c2)ccc1C1CC1
Show InChI InChI=1S/C25H23N5O2S/c1-15-9-17(12-26-11-15)22-10-20(21(14-28-22)25-27-7-8-33-25)23(31)29-13-18-5-6-19(16-3-4-16)24(30-18)32-2/h5-12,14,16H,3-4,13H2,1-2H3,(H,29,31)
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0.970 -53.5n/an/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay methodology using FLIPR Ca2+ Flux Assay (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001).


US Patent US8592457 (2013)


BindingDB Entry DOI: 10.7270/Q2251GTW
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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1n/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 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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3n/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 2


(Homo sapiens (Human))
BDBM106969
PNG
(US8592457, 1-13)
Show SMILES COc1ncc(CNC(=O)c2cc(ncc2-c2cccc(F)c2)-c2cncc(C)c2)nc1OC
Show InChI InChI=1S/C25H22FN5O3/c1-15-7-17(11-27-10-15)22-9-20(21(14-28-22)16-5-4-6-18(26)8-16)23(32)29-12-19-13-30-24(33-2)25(31-19)34-3/h4-11,13-14H,12H2,1-3H3,(H,29,32)
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4.5 -49.6n/an/an/an/an/a7.437



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Assay methodology using FLIPR Ca2+ Flux Assay (Okumura et al., Biochem. Biophys. Res. Comm. 280:976-981, 2001).


US Patent US8592457 (2013)


BindingDB Entry DOI: 10.7270/Q2251GTW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(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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7n/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 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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8n/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 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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9n/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 2


(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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11n/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 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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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 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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14n/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 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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16n/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 2


(Homo sapiens (Human))
BDBM102278
PNG
(US8530648, 215)
Show SMILES O=C1N(Cc2ccccc2-c2ncco2)CCCC11CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C27H27N5O2/c33-26-27(11-15-31(16-12-27)24-18-29-22-8-3-4-9-23(22)30-24)10-5-14-32(26)19-20-6-1-2-7-21(20)25-28-13-17-34-25/h1-4,6-9,13,17-18H,5,10-12,14-16,19H2
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19n/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 2


(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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22n/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 2


(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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23n/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 2


(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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23n/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 2


(Homo sapiens (Human))
BDBM102169
PNG
(US8530648, 78)
Show SMILES Cc1noc(n1)-c1ccccc1CN1CCCC2(CCN(CC2)c2cnc3ccccc3n2)C1=O
Show InChI InChI=1S/C27H28N6O2/c1-19-29-25(35-31-19)21-8-3-2-7-20(21)18-33-14-6-11-27(26(33)34)12-15-32(16-13-27)24-17-28-22-9-4-5-10-23(22)30-24/h2-5,7-10,17H,6,11-16,18H2,1H3
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25n/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 2


(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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29n/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 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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30n/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 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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30n/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 2


(Homo sapiens (Human))
BDBM102177
PNG
(US8530648, 107)
Show SMILES O=C1N(Cc2c[nH]c3ccccc23)CCCC11CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C27H28N4O/c32-26-27(10-5-13-31(26)19-21-17-28-25-9-4-2-7-23(21)25)11-14-30(15-12-27)22-16-20-6-1-3-8-24(20)29-18-22/h1-4,6-9,16-18,28H,5,10-15,19H2
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32n/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 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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32n/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 2


(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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35n/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 2


(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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35n/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 2


(Homo sapiens (Human))
BDBM102178
PNG
(US8530648, 111)
Show SMILES O=C1N(Cc2ccccc2-n2nccn2)CCCC11CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C26H27N7O/c34-25-26(11-16-31(17-12-26)24-18-27-21-7-2-3-8-22(21)30-24)10-5-15-32(25)19-20-6-1-4-9-23(20)33-28-13-14-29-33/h1-4,6-9,13-14,18H,5,10-12,15-17,19H2
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39n/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 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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39n/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 2


(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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45n/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 2


(Homo sapiens (Human))
BDBM102134
PNG
(US8530648, 31)
Show SMILES O=C1N(Cc2cccc3OCCOc23)CCCC11CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C26H28N4O3/c31-25-26(9-4-12-30(25)18-19-5-3-8-22-24(19)33-16-15-32-22)10-13-29(14-11-26)23-17-27-20-6-1-2-7-21(20)28-23/h1-3,5-8,17H,4,9-16,18H2
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46n/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 2


(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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47n/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 2


(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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47n/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 2


(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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48n/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 2


(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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49n/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 2


(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
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50n/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 2


(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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51n/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 2


(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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55n/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 2


(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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62n/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 2


(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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63n/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 2


(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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68n/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 2


(Homo sapiens (Human))
BDBM102281
PNG
(US8530648, 218)
Show SMILES O=C1N(Cc2c[nH]c3ccccc23)CCCC11CCN(CC1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H27N5O/c31-23-25(10-5-13-30(23)17-18-16-26-20-7-2-1-6-19(18)20)11-14-29(15-12-25)24-27-21-8-3-4-9-22(21)28-24/h1-4,6-9,16,26H,5,10-15,17H2,(H,27,28)
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69n/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 2


(Homo sapiens (Human))
BDBM102298
PNG
(US8530648, 235)
Show SMILES O=C1N(Cc2c[nH]c3ccccc23)CCCC11CCN(CC1)c1ncc2ccccc2n1
Show InChI InChI=1S/C26H27N5O/c32-24-26(10-5-13-31(24)18-20-17-27-23-9-4-2-7-21(20)23)11-14-30(15-12-26)25-28-16-19-6-1-3-8-22(19)29-25/h1-4,6-9,16-17,27H,5,10-15,18H2
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70n/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 2


(Homo sapiens (Human))
BDBM102257
PNG
(US8530648, 194)
Show SMILES Cc1ccc(cc1CN1CCCC2(CCN(CC2)c2cnc3ccccc3n2)C1=O)-n1nccn1
Show InChI InChI=1S/C27H29N7O/c1-20-7-8-22(34-29-12-13-30-34)17-21(20)19-33-14-4-9-27(26(33)35)10-15-32(16-11-27)25-18-28-23-5-2-3-6-24(23)31-25/h2-3,5-8,12-13,17-18H,4,9-11,14-16,19H2,1H3
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73n/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 2


(Homo sapiens (Human))
BDBM102212
PNG
(US8530648, 149)
Show SMILES O=C1N(Cc2cccc(n2)-n2cccn2)CCCC11CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C26H27N7O/c34-25-26(11-16-31(17-12-26)24-18-27-21-7-1-2-8-22(21)30-24)10-4-14-32(25)19-20-6-3-9-23(29-20)33-15-5-13-28-33/h1-3,5-9,13,15,18H,4,10-12,14,16-17,19H2
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80n/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 2


(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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81n/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 2


(Homo sapiens (Human))
BDBM102211
PNG
(US8530648, 148)
Show SMILES O=C1N(Cc2cccc3OCCOc23)CCCC11CCN(CC1)c1nccc2occc12
Show InChI InChI=1S/C25H27N3O4/c29-24-25(8-12-27(13-9-25)23-19-6-14-30-20(19)5-10-26-23)7-2-11-28(24)17-18-3-1-4-21-22(18)32-16-15-31-21/h1,3-6,10,14H,2,7-9,11-13,15-17H2
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81n/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 2


(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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81n/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 2


(Homo sapiens (Human))
BDBM102242
PNG
(US8530648, 179)
Show SMILES O=C1N(Cc2cccc3nsnc23)CCCC11CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C24H24N6OS/c31-23-24(9-4-12-30(23)16-17-5-3-8-20-22(17)28-32-27-20)10-13-29(14-11-24)21-15-25-18-6-1-2-7-19(18)26-21/h1-3,5-8,15H,4,9-14,16H2
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82n/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 2


(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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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 2


(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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84n/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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