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Patent code US10377763

Compile Data Set for Download or QSAR
Found 48 hits of Enzyme Inhibition Constant Data   
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))
BDBM410251
PNG
(Synthesis of (E)-N-[(4R,4aS,7R,7aR,12bS)-3-{[2-(di...)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35O)OCCO1)S(=O)(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C25H26N2O9S/c1-33-17-7-6-15-14-19-24(28)8-9-25(34-12-13-35-25)22-23(24,20(15)21(17)36-22)10-11-26(19)37(31,32)18-5-3-2-4-16(18)27(29)30/h2-7,19,22,28H,8-14H2,1H3/t19-,22-,23+,24-/m1/s1
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n/an/a 3.61n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM410234
PNG
(US10377763, Example 32)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C33H37N3O7S/c1-34(2)23-7-9-24(10-8-23)44(39,40)36-17-16-32-29-22-6-11-26(41-4)30(29)43-31(32)25(13-15-33(32,38)27(36)19-22)35(3)28(37)12-5-21-14-18-42-20-21/h5-12,14,18,20,25,27,31,38H,13,15-17,19H2,1-4H3/b12-5+/t25-,27-,31+,32+,33-/m1/s1
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n/an/a 11.7n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50230156
PNG
(CHEMBL4097697 | US10377763, Example 3)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C32H34N2O7S/c1-20-5-4-6-23(17-20)42(37,38)34-15-14-31-28-22-8-9-25(39-3)29(28)41-30(31)24(11-13-32(31,36)26(34)18-22)33(2)27(35)10-7-21-12-16-40-19-21/h4-10,12,16-17,19,24,26,30,36H,11,13-15,18H2,1-3H3/b10-7+/t24-,26-,30+,31+,32-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50230164
PNG
(CHEMBL4091834 | US10377763, Example 2)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C32H34N2O7S/c1-20-6-4-5-7-25(20)42(37,38)34-16-15-31-28-22-9-10-24(39-3)29(28)41-30(31)23(12-14-32(31,36)26(34)18-22)33(2)27(35)11-8-21-13-17-40-19-21/h4-11,13,17,19,23,26,30,36H,12,14-16,18H2,1-3H3/b11-8+/t23-,26-,30+,31+,32-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50230158
PNG
(CHEMBL4073947 | US10377763, Example 11)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1ccccc1C#N
Show InChI InChI=1S/C32H31N3O7S/c1-34(27(36)10-7-20-12-16-41-19-20)23-11-13-32(37)26-17-21-8-9-24(40-2)29-28(21)31(32,30(23)42-29)14-15-35(26)43(38,39)25-6-4-3-5-22(25)18-33/h3-10,12,16,19,23,26,30,37H,11,13-15,17H2,1-2H3/b10-7+/t23-,26-,30+,31+,32-/m1/s1
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n/an/a 49.1n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50230141
PNG
(CHEMBL4083587 | US10377763, Example 20)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C31H31BrN2O7S/c1-33(26(35)10-7-19-12-16-40-18-19)22-11-13-31(36)25-17-20-8-9-23(39-2)28-27(20)30(31,29(22)41-28)14-15-34(25)42(37,38)24-6-4-3-5-21(24)32/h3-10,12,16,18,22,25,29,36H,11,13-15,17H2,1-2H3/b10-7+/t22-,25-,29+,30+,31-/m1/s1
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n/an/a 56.2n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50274347
PNG
((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1
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n/an/a 82.8n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50230155
PNG
(CHEMBL4094746 | US10377763, Example 27)
Show SMILES CCCCS(=O)(=O)N1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@H]4N(C)C(=O)\C=C\c1ccoc1)ccc5OC
Show InChI InChI=1S/C29H36N2O7S/c1-4-5-16-39(34,35)31-14-13-28-25-20-7-8-22(36-3)26(25)38-27(28)21(10-12-29(28,33)23(31)17-20)30(2)24(32)9-6-19-11-15-37-18-19/h6-9,11,15,18,21,23,27,33H,4-5,10,12-14,16-17H2,1-3H3/b9-6+/t21-,23-,27+,28+,29-/m1/s1
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n/an/a 87.8n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50230133
PNG
(CHEMBL4067292 | US10377763, Example 28)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C28H32N2O7S/c1-29(23(31)8-3-17-10-14-36-16-17)20-9-11-28(32)22-15-18-4-7-21(35-2)25-24(18)27(28,26(20)37-25)12-13-30(22)38(33,34)19-5-6-19/h3-4,7-8,10,14,16,19-20,22,26,32H,5-6,9,11-13,15H2,1-2H3/b8-3+/t20-,22-,26+,27+,28-/m1/s1
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n/an/a 101n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50230154
PNG
(CHEMBL4097196 | US10377763, Example 15)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C31H31FN2O7S/c1-33(26(35)9-6-19-11-15-40-18-19)23-10-12-31(36)25-16-20-7-8-24(39-2)28-27(20)30(31,29(23)41-28)13-14-34(25)42(37,38)22-5-3-4-21(32)17-22/h3-9,11,15,17-18,23,25,29,36H,10,12-14,16H2,1-2H3/b9-6+/t23-,25-,29+,30+,31-/m1/s1
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n/an/a 112n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50230142
PNG
(CHEMBL4099280 | US10377763, Example 23)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C34H38N2O7S/c1-20-16-21(2)31(22(3)17-20)44(39,40)36-14-13-33-29-24-7-8-26(41-5)30(29)43-32(33)25(10-12-34(33,38)27(36)18-24)35(4)28(37)9-6-23-11-15-42-19-23/h6-9,11,15-17,19,25,27,32,38H,10,12-14,18H2,1-5H3/b9-6+/t25-,27-,32+,33+,34-/m1/s1
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n/an/a 121n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM410237
PNG
(Synthesis of N-[(4R,4aS,7R,7aR,12bS)-4a-hydroxy-9-...)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)Cc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C31H34N2O5S/c1-32(20-21-9-5-3-6-10-21)24-15-16-31(34)26-19-22-13-14-25(37-2)28-27(22)30(31,29(24)38-28)17-18-33(26)39(35,36)23-11-7-4-8-12-23/h3-14,24,26,29,34H,15-20H2,1-2H3/t24-,26-,29+,30+,31-/m1/s1
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n/an/a 128n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50230139
PNG
(CHEMBL4105072 | US10377763, Example 8)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C31H31N3O9S/c1-32(26(35)10-7-19-12-16-42-18-19)22-11-13-31(36)25-17-20-8-9-23(41-2)28-27(20)30(31,29(22)43-28)14-15-33(25)44(39,40)24-6-4-3-5-21(24)34(37)38/h3-10,12,16,18,22,25,29,36H,11,13-15,17H2,1-2H3/b10-7+/t22-,25-,29+,30+,31-/m1/s1
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n/an/a 144n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM410238
PNG
(US10377763, Example 41)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)Nc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C31H33N3O6S/c1-33(29(35)32-21-9-5-3-6-10-21)23-15-16-31(36)25-19-20-13-14-24(39-2)27-26(20)30(31,28(23)40-27)17-18-34(25)41(37,38)22-11-7-4-8-12-22/h3-14,23,25,28,36H,15-19H2,1-2H3,(H,32,35)/t23-,25-,28+,30+,31-/m1/s1
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n/an/a 159n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50230168
PNG
(CHEMBL4079662 | US10377763, Example 4)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C32H34N2O7S/c1-20-4-8-23(9-5-20)42(37,38)34-16-15-31-28-22-7-10-25(39-3)29(28)41-30(31)24(12-14-32(31,36)26(34)18-22)33(2)27(35)11-6-21-13-17-40-19-21/h4-11,13,17,19,24,26,30,36H,12,14-16,18H2,1-3H3/b11-6+/t24-,26-,30+,31+,32-/m1/s1
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n/an/a 162n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50230136
PNG
(CHEMBL4068322 | US10377763, Example 18)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C31H31ClN2O7S/c1-33(26(35)9-6-19-11-15-40-18-19)23-10-12-31(36)25-16-20-7-8-24(39-2)28-27(20)30(31,29(23)41-28)13-14-34(25)42(37,38)22-5-3-4-21(32)17-22/h3-9,11,15,17-18,23,25,29,36H,10,12-14,16H2,1-2H3/b9-6+/t23-,25-,29+,30+,31-/m1/s1
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US Patent
n/an/a 195n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM410225
PNG
(US10377763, Example 25)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C34H33N3O7S/c1-36(28(38)11-8-21-13-18-43-20-21)24-12-14-34(39)27-19-23-9-10-25(42-2)31-29(23)33(34,32(24)44-31)15-17-37(27)45(40,41)26-7-3-5-22-6-4-16-35-30(22)26/h3-11,13,16,18,20,24,27,32,39H,12,14-15,17,19H2,1-2H3/b11-8+/t24-,27-,32+,33+,34-/m1/s1
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n/an/a 198n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50230167
PNG
(CHEMBL4071220 | US10377763, Example 21)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1cccc(Br)c1
Show InChI InChI=1S/C31H31BrN2O7S/c1-33(26(35)9-6-19-11-15-40-18-19)23-10-12-31(36)25-16-20-7-8-24(39-2)28-27(20)30(31,29(23)41-28)13-14-34(25)42(37,38)22-5-3-4-21(32)17-22/h3-9,11,15,17-18,23,25,29,36H,10,12-14,16H2,1-2H3/b9-6+/t23-,25-,29+,30+,31-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50230033
PNG
(CHEMBL4062717 | US10377763, Example 34)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)C(=O)C1CC1
Show InChI InChI=1S/C29H32N2O6/c1-30(23(32)8-3-17-10-14-36-16-17)20-9-11-29(34)22-15-19-6-7-21(35-2)25-24(19)28(29,26(20)37-25)12-13-31(22)27(33)18-4-5-18/h3,6-8,10,14,16,18,20,22,26,34H,4-5,9,11-13,15H2,1-2H3/b8-3+/t20-,22-,26+,28+,29-/m1/s1
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n/an/a 259n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50230144
PNG
(CHEMBL4081763 | US10377763, Example 5)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C32H31F3N2O7S/c1-36(26(38)10-7-19-12-16-43-18-19)22-11-13-31(39)25-17-20-8-9-23(42-2)28-27(20)30(31,29(22)44-28)14-15-37(25)45(40,41)24-6-4-3-5-21(24)32(33,34)35/h3-10,12,16,18,22,25,29,39H,11,13-15,17H2,1-2H3/b10-7+/t22-,25-,29+,30+,31-/m1/s1
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n/an/a 419n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50230147
PNG
(CHEMBL4094071 | US10377763, Example 35)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C33H34N2O6/c1-20-4-7-22(8-5-20)31(37)35-16-15-32-28-23-9-10-25(39-3)29(28)41-30(32)24(12-14-33(32,38)26(35)18-23)34(2)27(36)11-6-21-13-17-40-19-21/h4-11,13,17,19,24,26,30,38H,12,14-16,18H2,1-3H3/b11-6+/t24-,26-,30+,32+,33-/m1/s1
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n/an/a 571n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM410247
PNG
(US10377763, Example 42)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)NCc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C32H35N3O6S/c1-34(30(36)33-20-21-9-5-3-6-10-21)24-15-16-32(37)26-19-22-13-14-25(40-2)28-27(22)31(32,29(24)41-28)17-18-35(26)42(38,39)23-11-7-4-8-12-23/h3-14,24,26,29,37H,15-20H2,1-2H3,(H,33,36)/t24-,26-,29+,31+,32-/m1/s1
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n/an/a 688n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50274347
PNG
((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1
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n/an/a 1.65E+3n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM410182
PNG
(US10377763, Compound 3 | tert-butyl(4R,4aS,7R,7aR,...)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)Cc1ccccc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C30H38N2O5/c1-28(2,3)37-27(33)32-16-15-29-24-20-11-12-22(35-5)25(24)36-26(29)21(13-14-30(29,34)23(32)17-20)31(4)18-19-9-7-6-8-10-19/h6-12,21,23,26,34H,13-18H2,1-5H3/t21-,23-,26+,29+,30-/m1/s1
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n/an/a 2.85E+3n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50230139
PNG
(CHEMBL4105072 | US10377763, Example 8)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C31H31N3O9S/c1-32(26(35)10-7-19-12-16-42-18-19)22-11-13-31(36)25-17-20-8-9-23(41-2)28-27(20)30(31,29(22)43-28)14-15-33(25)44(39,40)24-6-4-3-5-21(24)34(37)38/h3-10,12,16,18,22,25,29,36H,11,13-15,17H2,1-2H3/b10-7+/t22-,25-,29+,30+,31-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50230141
PNG
(CHEMBL4083587 | US10377763, Example 20)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C31H31BrN2O7S/c1-33(26(35)10-7-19-12-16-40-18-19)22-11-13-31(36)25-17-20-8-9-23(39-2)28-27(20)30(31,29(22)41-28)14-15-34(25)42(37,38)24-6-4-3-5-21(24)32/h3-10,12,16,18,22,25,29,36H,11,13-15,17H2,1-2H3/b10-7+/t22-,25-,29+,30+,31-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50230142
PNG
(CHEMBL4099280 | US10377763, Example 23)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C34H38N2O7S/c1-20-16-21(2)31(22(3)17-20)44(39,40)36-14-13-33-29-24-7-8-26(41-5)30(29)43-32(33)25(10-12-34(33,38)27(36)18-24)35(4)28(37)9-6-23-11-15-42-19-23/h6-9,11,15-17,19,25,27,32,38H,10,12-14,18H2,1-5H3/b9-6+/t25-,27-,32+,33+,34-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50230155
PNG
(CHEMBL4094746 | US10377763, Example 27)
Show SMILES CCCCS(=O)(=O)N1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@H]4N(C)C(=O)\C=C\c1ccoc1)ccc5OC
Show InChI InChI=1S/C29H36N2O7S/c1-4-5-16-39(34,35)31-14-13-28-25-20-7-8-22(36-3)26(25)38-27(28)21(10-12-29(28,33)23(31)17-20)30(2)24(32)9-6-19-11-15-37-18-19/h6-9,11,15,18,21,23,27,33H,4-5,10,12-14,16-17H2,1-3H3/b9-6+/t21-,23-,27+,28+,29-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM410238
PNG
(US10377763, Example 41)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)Nc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C31H33N3O6S/c1-33(29(35)32-21-9-5-3-6-10-21)23-15-16-31(36)25-19-20-13-14-24(39-2)27-26(20)30(31,28(23)40-27)17-18-34(25)41(37,38)22-11-7-4-8-12-22/h3-14,23,25,28,36H,15-19H2,1-2H3,(H,32,35)/t23-,25-,28+,30+,31-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50230144
PNG
(CHEMBL4081763 | US10377763, Example 5)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C32H31F3N2O7S/c1-36(26(38)10-7-19-12-16-43-18-19)22-11-13-31(39)25-17-20-8-9-23(42-2)28-27(20)30(31,29(22)44-28)14-15-37(25)45(40,41)24-6-4-3-5-21(24)32(33,34)35/h3-10,12,16,18,22,25,29,39H,11,13-15,17H2,1-2H3/b10-7+/t22-,25-,29+,30+,31-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50230154
PNG
(CHEMBL4097196 | US10377763, Example 15)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C31H31FN2O7S/c1-33(26(35)9-6-19-11-15-40-18-19)23-10-12-31(36)25-16-20-7-8-24(39-2)28-27(20)30(31,29(23)41-28)13-14-34(25)42(37,38)22-5-3-4-21(32)17-22/h3-9,11,15,17-18,23,25,29,36H,10,12-14,16H2,1-2H3/b9-6+/t23-,25-,29+,30+,31-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50230156
PNG
(CHEMBL4097697 | US10377763, Example 3)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C32H34N2O7S/c1-20-5-4-6-23(17-20)42(37,38)34-15-14-31-28-22-8-9-25(39-3)29(28)41-30(31)24(11-13-32(31,36)26(34)18-22)33(2)27(35)10-7-21-12-16-40-19-21/h4-10,12,16-17,19,24,26,30,36H,11,13-15,18H2,1-3H3/b10-7+/t24-,26-,30+,31+,32-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50274347
PNG
((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM410234
PNG
(US10377763, Example 32)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C33H37N3O7S/c1-34(2)23-7-9-24(10-8-23)44(39,40)36-17-16-32-29-22-6-11-26(41-4)30(29)43-31(32)25(13-15-33(32,38)27(36)19-22)35(3)28(37)12-5-21-14-18-42-20-21/h5-12,14,18,20,25,27,31,38H,13,15-17,19H2,1-4H3/b12-5+/t25-,27-,31+,32+,33-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM410182
PNG
(US10377763, Compound 3 | tert-butyl(4R,4aS,7R,7aR,...)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)Cc1ccccc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C30H38N2O5/c1-28(2,3)37-27(33)32-16-15-29-24-20-11-12-22(35-5)25(24)36-26(29)21(13-14-30(29,34)23(32)17-20)31(4)18-19-9-7-6-8-10-19/h6-12,21,23,26,34H,13-18H2,1-5H3/t21-,23-,26+,29+,30-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM410237
PNG
(Synthesis of N-[(4R,4aS,7R,7aR,12bS)-4a-hydroxy-9-...)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)Cc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C31H34N2O5S/c1-32(20-21-9-5-3-6-10-21)24-15-16-31(34)26-19-22-13-14-25(37-2)28-27(22)30(31,29(24)38-28)17-18-33(26)39(35,36)23-11-7-4-8-12-23/h3-14,24,26,29,34H,15-20H2,1-2H3/t24-,26-,29+,30+,31-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM410251
PNG
(Synthesis of (E)-N-[(4R,4aS,7R,7aR,12bS)-3-{[2-(di...)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35O)OCCO1)S(=O)(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C25H26N2O9S/c1-33-17-7-6-15-14-19-24(28)8-9-25(34-12-13-35-25)22-23(24,20(15)21(17)36-22)10-11-26(19)37(31,32)18-5-3-2-4-16(18)27(29)30/h2-7,19,22,28H,8-14H2,1H3/t19-,22-,23+,24-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50230164
PNG
(CHEMBL4091834 | US10377763, Example 2)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C32H34N2O7S/c1-20-6-4-5-7-25(20)42(37,38)34-16-15-31-28-22-9-10-24(39-3)29(28)41-30(31)23(12-14-32(31,36)26(34)18-22)33(2)27(35)11-8-21-13-17-40-19-21/h4-11,13,17,19,23,26,30,36H,12,14-16,18H2,1-3H3/b11-8+/t23-,26-,30+,31+,32-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50230133
PNG
(CHEMBL4067292 | US10377763, Example 28)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C28H32N2O7S/c1-29(23(31)8-3-17-10-14-36-16-17)20-9-11-28(32)22-15-18-4-7-21(35-2)25-24(18)27(28,26(20)37-25)12-13-30(22)38(33,34)19-5-6-19/h3-4,7-8,10,14,16,19-20,22,26,32H,5-6,9,11-13,15H2,1-2H3/b8-3+/t20-,22-,26+,27+,28-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM410247
PNG
(US10377763, Example 42)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)NCc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C32H35N3O6S/c1-34(30(36)33-20-21-9-5-3-6-10-21)24-15-16-32(37)26-19-22-13-14-25(40-2)28-27(22)31(32,29(24)41-28)17-18-35(26)42(38,39)23-11-7-4-8-12-23/h3-14,24,26,29,37H,15-20H2,1-2H3,(H,33,36)/t24-,26-,29+,31+,32-/m1/s1
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UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50230147
PNG
(CHEMBL4094071 | US10377763, Example 35)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C33H34N2O6/c1-20-4-7-22(8-5-20)31(37)35-16-15-32-28-23-9-10-25(39-3)29(28)41-30(32)24(12-14-33(32,38)26(35)18-23)34(2)27(36)11-6-21-13-17-40-19-21/h4-11,13,17,19,24,26,30,38H,12,14-16,18H2,1-3H3/b11-6+/t24-,26-,30+,32+,33-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50230033
PNG
(CHEMBL4062717 | US10377763, Example 34)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)C(=O)C1CC1
Show InChI InChI=1S/C29H32N2O6/c1-30(23(32)8-3-17-10-14-36-16-17)20-9-11-29(34)22-15-19-6-7-21(35-2)25-24(19)28(29,26(20)37-25)12-13-31(22)27(33)18-4-5-18/h3,6-8,10,14,16,18,20,22,26,34H,4-5,9,11-13,15H2,1-2H3/b8-3+/t20-,22-,26+,28+,29-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50230158
PNG
(CHEMBL4073947 | US10377763, Example 11)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1ccccc1C#N
Show InChI InChI=1S/C32H31N3O7S/c1-34(27(36)10-7-20-12-16-41-19-20)23-11-13-32(37)26-17-21-8-9-24(40-2)29-28(21)31(32,30(23)42-29)14-15-35(26)43(38,39)25-6-4-3-5-22(25)18-33/h3-10,12,16,19,23,26,30,37H,11,13-15,17H2,1-2H3/b10-7+/t23-,26-,30+,31+,32-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM410225
PNG
(US10377763, Example 25)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C34H33N3O7S/c1-36(28(38)11-8-21-13-18-43-20-21)24-12-14-34(39)27-19-23-9-10-25(42-2)31-29(23)33(34,32(24)44-31)15-17-37(27)45(40,41)26-7-3-5-22-6-4-16-35-30(22)26/h3-11,13,16,18,20,24,27,32,39H,12,14-15,17,19H2,1-2H3/b11-8+/t24-,27-,32+,33+,34-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50230167
PNG
(CHEMBL4071220 | US10377763, Example 21)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1cccc(Br)c1
Show InChI InChI=1S/C31H31BrN2O7S/c1-33(26(35)9-6-19-11-15-40-18-19)23-10-12-31(36)25-16-20-7-8-24(39-2)28-27(20)30(31,29(23)41-28)13-14-34(25)42(37,38)22-5-3-4-21(32)17-22/h3-9,11,15,17-18,23,25,29,36H,10,12-14,16H2,1-2H3/b9-6+/t23-,25-,29+,30+,31-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50274347
PNG
((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1
Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50230168
PNG
(CHEMBL4079662 | US10377763, Example 4)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C32H34N2O7S/c1-20-4-8-23(9-5-20)42(37,38)34-16-15-31-28-22-7-10-25(39-3)29(28)41-30(31)24(12-14-32(31,36)26(34)18-22)33(2)27(35)11-6-21-13-17-40-19-21/h4-11,13,17,19,24,26,30,36H,12,14-16,18H2,1-3H3/b11-6+/t24-,26-,30+,31+,32-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50230136
PNG
(CHEMBL4068322 | US10377763, Example 18)
Show SMILES COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C31H31ClN2O7S/c1-33(26(35)9-6-19-11-15-40-18-19)23-10-12-31(36)25-16-20-7-8-24(39-2)28-27(20)30(31,29(23)41-28)13-14-34(25)42(37,38)22-5-3-4-21(32)17-22/h3-9,11,15,17-18,23,25,29,36H,10,12-14,16H2,1-2H3/b9-6+/t23-,25-,29+,30+,31-/m1/s1
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US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



UNIVERSITY OF TSUKUBA

US Patent


Assay Description
The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...


US Patent US10377763 (2019)


BindingDB Entry DOI: 10.7270/Q2FF3VQ1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%