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Patent code US9586962

Compile Data Set for Download or QSAR

Found 903 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))
BDBM118664
PNG
(US8653263, 317 | US9586962, Example 317)
Show SMILES Cc1nc(nc(C)c1Cl)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C21H21ClFN7O/c1-12-19(22)13(2)27-21(26-12)29-10-14-8-28(9-15(14)11-29)20(31)18-16(23)4-3-5-17(18)30-24-6-7-25-30/h3-7,14-15H,8-11H2,1-2H3
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US Patent
3 -48.6n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118667
PNG
(US8653263, 320 | US9586962, Example 320)
Show SMILES Cc1nc(nc(C)c1Cl)N1CC2CN(CC2C1)C(=O)c1ccccc1-c1ncn(C)n1
Show InChI InChI=1S/C22H24ClN7O/c1-13-19(23)14(2)26-22(25-13)30-10-15-8-29(9-16(15)11-30)21(31)18-7-5-4-6-17(18)20-24-12-28(3)27-20/h4-7,12,15-16H,8-11H2,1-3H3
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4 -47.9n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118641
PNG
(US8653263, 294 | US9586962, Example 294)
Show SMILES Cc1nc(nc(C)c1C)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C22H24FN7O/c1-13-14(2)26-22(27-15(13)3)29-11-16-9-28(10-17(16)12-29)21(31)20-18(23)5-4-6-19(20)30-24-7-8-25-30/h4-8,16-17H,9-12H2,1-3H3
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4 -47.9n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118665
PNG
(US8653263, 318 | US9586962, Example 318)
Show SMILES Cc1noc(n1)-c1ccccc1C(=O)N1CC2CN(CC2C1)c1nc(C)c(Cl)c(C)n1
Show InChI InChI=1S/C22H23ClN6O2/c1-12-19(23)13(2)25-22(24-12)29-10-15-8-28(9-16(15)11-29)21(30)18-7-5-4-6-17(18)20-26-14(3)27-31-20/h4-7,15-16H,8-11H2,1-3H3
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5 -47.4n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM294917
PNG
(2-(4,6-Dimethylpyrimidin-2-yl)-5-{[4-fluoro-2-(4-f...)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1ccc(F)cc1-c1[nH]ncc1F
Show InChI InChI=1S/C22H22F2N6O/c1-12-5-13(2)27-22(26-12)30-10-14-8-29(9-15(14)11-30)21(31)17-4-3-16(23)6-18(17)20-19(24)7-25-28-20/h3-7,14-15H,8-11H2,1-2H3,(H,25,28)
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6 -46.9n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118644
PNG
(US8653263, 297 | US9586962, Example 297)
Show SMILES CCc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C22H24FN7O/c1-3-17-9-14(2)26-22(27-17)29-12-15-10-28(11-16(15)13-29)21(31)20-18(23)5-4-6-19(20)30-24-7-8-25-30/h4-9,15-16H,3,10-13H2,1-2H3
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6 -46.9n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM294940
PNG
(2-{[2-Fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl]carbo...)
Show SMILES COc1c(C)nc(nc1C)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C22H24FN7O2/c1-13-20(32-3)14(2)27-22(26-13)29-11-15-9-28(10-16(15)12-29)21(31)19-17(23)5-4-6-18(19)30-24-7-8-25-30/h4-8,15-16H,9-12H2,1-3H3
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7 -46.5n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118586
PNG
(US8653263, 239 | US9586962, Example 239)
Show SMILES Cc1nc(nc(C)c1C)N1CC2CN(CC2C1)C(=O)c1cccc(F)c1-c1ncccn1
Show InChI InChI=1S/C24H25FN6O/c1-14-15(2)28-24(29-16(14)3)31-12-17-10-30(11-18(17)13-31)23(32)19-6-4-7-20(25)21(19)22-26-8-5-9-27-22/h4-9,17-18H,10-13H2,1-3H3
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7 -46.5n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118420
PNG
(US8653263, 73 | US9586962, Example 73)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-c1ncccn1
Show InChI InChI=1S/C23H23FN6O/c1-14-9-15(2)28-23(27-14)30-12-16-10-29(11-17(16)13-30)22(31)20-18(5-3-6-19(20)24)21-25-7-4-8-26-21/h3-9,16-17H,10-13H2,1-2H3
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7 -46.5n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118652
PNG
(US8653263, 305 | US9586962, Example 305)
Show SMILES Cc1nc(nc(C)c1C)N1CC2CN(CC2C1)C(=O)c1ccccc1-c1nnc[nH]1
Show InChI InChI=1S/C22H25N7O/c1-13-14(2)25-22(26-15(13)3)29-10-16-8-28(9-17(16)11-29)21(30)19-7-5-4-6-18(19)20-23-12-24-27-20/h4-7,12,16-17H,8-11H2,1-3H3,(H,23,24,27)
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7 -46.5n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118658
PNG
(US8653263, 311 | US9586962, Example 311)
Show SMILES Cc1nc(nc(C)c1C)N1CC2CN(CC2C1)C(=O)c1ccccc1-c1ncn(C)n1
Show InChI InChI=1S/C23H27N7O/c1-14-15(2)25-23(26-16(14)3)30-11-17-9-29(10-18(17)12-30)22(31)20-8-6-5-7-19(20)21-24-13-28(4)27-21/h5-8,13,17-18H,9-12H2,1-4H3
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7 -46.5n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118390
PNG
(US8653263, 43 | US9586962, Example 43)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1ccccc1-c1cccs1
Show InChI InChI=1S/C23H24N4OS/c1-15-10-16(2)25-23(24-15)27-13-17-11-26(12-18(17)14-27)22(28)20-7-4-3-6-19(20)21-8-5-9-29-21/h3-10,17-18H,11-14H2,1-2H3
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7 -46.5n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118660
PNG
(US8653263, 313 | US9586962, Example 313)
Show SMILES Cc1nc(nc2CCCc12)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C23H24FN7O/c1-14-17-4-2-6-19(17)28-23(27-14)30-12-15-10-29(11-16(15)13-30)22(32)21-18(24)5-3-7-20(21)31-25-8-9-26-31/h3,5,7-9,15-16H,2,4,6,10-13H2,1H3
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7 -46.5n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118587
PNG
(US8653263, 240 | US9586962, Example 240)
Show SMILES Cc1nc(nc(C)c1C)N1CC2CN(CC2C1)C(=O)c1cccc(F)c1-n1nccn1
Show InChI InChI=1S/C22H24FN7O/c1-13-14(2)26-22(27-15(13)3)29-11-16-9-28(10-17(16)12-29)21(31)18-5-4-6-19(23)20(18)30-24-7-8-25-30/h4-8,16-17H,9-12H2,1-3H3
PDB

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7 -46.5n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118656
PNG
(US8653263, 309 | US9586962, Example 309)
Show SMILES Cc1noc(n1)-c1ccccc1C(=O)N1CC2CN(CC2C1)c1nc(C)c(C)c(C)n1
Show InChI InChI=1S/C23H26N6O2/c1-13-14(2)24-23(25-15(13)3)29-11-17-9-28(10-18(17)12-29)22(30)20-8-6-5-7-19(20)21-26-16(4)27-31-21/h5-8,17-18H,9-12H2,1-4H3
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7 -46.5n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM294756
PNG
(2-(4,6-Dimethylpyrimidin-2-yl)-5-{[3-fluoro-2-(1H-...)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1cccc(F)c1-c1ccn[nH]1
Show InChI InChI=1S/C22H23FN6O/c1-13-8-14(2)26-22(25-13)29-11-15-9-28(10-16(15)12-29)21(30)17-4-3-5-18(23)20(17)19-6-7-24-27-19/h3-8,15-16H,9-12H2,1-2H3,(H,24,27)
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8 -46.2n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118673
PNG
(US8653263, 326 | US9586962, Example 326)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1cccc2Cc3ccccc3-c12
Show InChI InChI=1S/C26H26N4O/c1-16-10-17(2)28-26(27-16)30-14-20-12-29(13-21(20)15-30)25(31)23-9-5-7-19-11-18-6-3-4-8-22(18)24(19)23/h3-10,20-21H,11-15H2,1-2H3
PDB

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8 -46.2n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118606
PNG
(US8653263, 259 | US9586962, Example 259)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(C)cccc1-n1nccn1
Show InChI InChI=1S/C22H25N7O/c1-14-5-4-6-19(29-23-7-8-24-29)20(14)21(30)27-10-17-12-28(13-18(17)11-27)22-25-15(2)9-16(3)26-22/h4-9,17-18H,10-13H2,1-3H3
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8 -46.2n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118645
PNG
(US8653263, 298 | US9586962, Example 298)
Show SMILES CC(C)c1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C23H26FN7O/c1-14(2)19-9-15(3)27-23(28-19)30-12-16-10-29(11-17(16)13-30)22(32)21-18(24)5-4-6-20(21)31-25-7-8-26-31/h4-9,14,16-17H,10-13H2,1-3H3
PDB

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9 -45.9n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118454
PNG
(US8653263, 107 | US9586962, Example 107)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3
PDB

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US Patent
9 -45.9n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM294919
PNG
(2-(4,6-Dimethylpyrimidin-2-yl)-5-{[2-fluoro-6-(4-f...)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-c1[nH]ncc1F
Show InChI InChI=1S/C22H22F2N6O/c1-12-6-13(2)27-22(26-12)30-10-14-8-29(9-15(14)11-30)21(31)19-16(4-3-5-17(19)23)20-18(24)7-25-28-20/h3-7,14-15H,8-11H2,1-2H3,(H,25,28)
PDB

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9 -45.9n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118726
PNG
(US8653263, 379 | US9586962, Example 379)
Show SMILES COc1ccc(C(=O)N2CC3CN(CC3C2)c2nc(C)c(F)c(C)n2)c(c1)-n1nccn1
Show InChI InChI=1S/C22H24FN7O2/c1-13-20(23)14(2)27-22(26-13)29-11-15-9-28(10-16(15)12-29)21(31)18-5-4-17(32-3)8-19(18)30-24-6-7-25-30/h4-8,15-16H,9-12H2,1-3H3
PDB

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9 -45.9n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118643
PNG
(US8653263, 296 | US9586962, Example 296)
Show SMILES COc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C21H22FN7O2/c1-13-8-18(31-2)26-21(25-13)28-11-14-9-27(10-15(14)12-28)20(30)19-16(22)4-3-5-17(19)29-23-6-7-24-29/h3-8,14-15H,9-12H2,1-2H3
PDB

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9 -45.9n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118630
PNG
(US8653263, 283 | US9586962, Example 283)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1cccc(F)c1-c1ncccn1
Show InChI InChI=1S/C23H23FN6O/c1-14-9-15(2)28-23(27-14)30-12-16-10-29(11-17(16)13-30)22(31)18-5-3-6-19(24)20(18)21-25-7-4-8-26-21/h3-9,16-17H,10-13H2,1-2H3
PDB

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10 -45.7n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118669
PNG
(US8653263, 322 | US9586962, Example 322)
Show SMILES CCc1c(C)nc(nc1C)N1CC2CN(CC2C1)C(=O)c1ccccc1-c1ncn(C)n1
Show InChI InChI=1S/C24H29N7O/c1-5-19-15(2)26-24(27-16(19)3)31-12-17-10-30(11-18(17)13-31)23(32)21-9-7-6-8-20(21)22-25-14-29(4)28-22/h6-9,14,17-18H,5,10-13H2,1-4H3
PDB

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10 -45.7n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118635
PNG
(US8653263, 288 | US9586962, Example 288)
Show SMILES COc1ccc(C(=O)N2CC3CN(CC3C2)c2nc(C)cc(C)n2)c(c1)-n1nccn1
Show InChI InChI=1S/C22H25N7O2/c1-14-8-15(2)26-22(25-14)28-12-16-10-27(11-17(16)13-28)21(30)19-5-4-18(31-3)9-20(19)29-23-6-7-24-29/h4-9,16-17H,10-13H2,1-3H3
PDB

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10 -45.7n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118725
PNG
(US8653263, 378 | US9586962, Example 378)
Show SMILES COc1ccc(C(=O)N2CC3CN(CC3C2)c2ncc(Cl)c(C)n2)c(c1)-n1nccn1
Show InChI InChI=1S/C21H22ClN7O2/c1-13-18(22)8-23-21(26-13)28-11-14-9-27(10-15(14)12-28)20(30)17-4-3-16(31-2)7-19(17)29-24-5-6-25-29/h3-8,14-15H,9-12H2,1-2H3
PDB

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10 -45.7n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118663
PNG
(US8653263, 316 | US9586962, Example 316)
Show SMILES Cc1nc(ncc1Cl)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C20H19ClFN7O/c1-12-15(21)7-23-20(26-12)28-10-13-8-27(9-14(13)11-28)19(30)18-16(22)3-2-4-17(18)29-24-5-6-25-29/h2-7,13-14H,8-11H2,1H3
PDB

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10 -45.7n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM294927
PNG
(2-(4,6-Dimethylpyrimidin-2-yl)-5-{[2-fluoro-6-(4-m...)
Show SMILES COc1ccnc(n1)-c1cccc(F)c1C(=O)N1CC2CN(CC2C1)c1nc(C)cc(C)n1
Show InChI InChI=1S/C24H25FN6O2/c1-14-9-15(2)28-24(27-14)31-12-16-10-30(11-17(16)13-31)23(32)21-18(5-4-6-19(21)25)22-26-8-7-20(29-22)33-3/h4-9,16-17H,10-13H2,1-3H3
PDB

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11 -45.4n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118593
PNG
(US8653263, 246 | US9586962, Example 246)
Show SMILES Fc1cccc(c1C(=O)N1CC2CN(CC2C1)c1cnc2cc(F)c(F)cc2n1)-n1nccn1
Show InChI InChI=1S/C23H18F3N7O/c24-15-2-1-3-20(33-28-4-5-29-33)22(15)23(34)32-11-13-9-31(10-14(13)12-32)21-8-27-18-6-16(25)17(26)7-19(18)30-21/h1-8,13-14H,9-12H2
PDB

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11 -45.4n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118635
PNG
(US8653263, 288 | US9586962, Example 288)
Show SMILES COc1ccc(C(=O)N2CC3CN(CC3C2)c2nc(C)cc(C)n2)c(c1)-n1nccn1
Show InChI InChI=1S/C22H25N7O2/c1-14-8-15(2)26-22(25-14)28-12-16-10-27(11-17(16)13-28)21(30)19-5-4-18(31-3)9-20(19)29-23-6-7-24-29/h4-9,16-17H,10-13H2,1-3H3
PDB

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11 -45.4n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118635
PNG
(US8653263, 288 | US9586962, Example 288)
Show SMILES COc1ccc(C(=O)N2CC3CN(CC3C2)c2nc(C)cc(C)n2)c(c1)-n1nccn1
Show InChI InChI=1S/C22H25N7O2/c1-14-8-15(2)26-22(25-14)28-12-16-10-27(11-17(16)13-28)21(30)19-5-4-18(31-3)9-20(19)29-23-6-7-24-29/h4-9,16-17H,10-13H2,1-3H3
PDB

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11 -45.4n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118635
PNG
(US8653263, 288 | US9586962, Example 288)
Show SMILES COc1ccc(C(=O)N2CC3CN(CC3C2)c2nc(C)cc(C)n2)c(c1)-n1nccn1
Show InChI InChI=1S/C22H25N7O2/c1-14-8-15(2)26-22(25-14)28-12-16-10-27(11-17(16)13-28)21(30)19-5-4-18(31-3)9-20(19)29-23-6-7-24-29/h4-9,16-17H,10-13H2,1-3H3
PDB

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11 -45.4n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118635
PNG
(US8653263, 288 | US9586962, Example 288)
Show SMILES COc1ccc(C(=O)N2CC3CN(CC3C2)c2nc(C)cc(C)n2)c(c1)-n1nccn1
Show InChI InChI=1S/C22H25N7O2/c1-14-8-15(2)26-22(25-14)28-12-16-10-27(11-17(16)13-28)21(30)19-5-4-18(31-3)9-20(19)29-23-6-7-24-29/h4-9,16-17H,10-13H2,1-3H3
PDB

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11 -45.4n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118635
PNG
(US8653263, 288 | US9586962, Example 288)
Show SMILES COc1ccc(C(=O)N2CC3CN(CC3C2)c2nc(C)cc(C)n2)c(c1)-n1nccn1
Show InChI InChI=1S/C22H25N7O2/c1-14-8-15(2)26-22(25-14)28-12-16-10-27(11-17(16)13-28)21(30)19-5-4-18(31-3)9-20(19)29-23-6-7-24-29/h4-9,16-17H,10-13H2,1-3H3
PDB

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11 -45.4n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118635
PNG
(US8653263, 288 | US9586962, Example 288)
Show SMILES COc1ccc(C(=O)N2CC3CN(CC3C2)c2nc(C)cc(C)n2)c(c1)-n1nccn1
Show InChI InChI=1S/C22H25N7O2/c1-14-8-15(2)26-22(25-14)28-12-16-10-27(11-17(16)13-28)21(30)19-5-4-18(31-3)9-20(19)29-23-6-7-24-29/h4-9,16-17H,10-13H2,1-3H3
PDB

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11 -45.4n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118430
PNG
(US8653263, 83 | US9586962, Example 83)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H23N7O/c1-14-9-15(2)25-21(24-14)27-12-16-10-26(11-17(16)13-27)20(29)18-5-3-4-6-19(18)28-22-7-8-23-28/h3-9,16-17H,10-13H2,1-2H3
PDB

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12 -45.2n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118415
PNG
(US8653263, 68 | US9586962, Example 68)
Show SMILES COc1cc(OC)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-c1ncccn1
Show InChI InChI=1S/C23H23FN6O3/c1-32-18-9-19(33-2)28-23(27-18)30-12-14-10-29(11-15(14)13-30)22(31)20-16(5-3-6-17(20)24)21-25-7-4-8-26-21/h3-9,14-15H,10-13H2,1-2H3
PDB

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13 -45.0n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM294910
PNG
(#49406123#4-{[5-(4,6-Dimethylpyrimidin-2-yl)hexahy...)
Show SMILES COc1ccc(C(=O)N2CC3CN(CC3C2)c2nc(C)cc(C)n2)c(c1)-c1ncco1
Show InChI InChI=1S/C23H25N5O3/c1-14-8-15(2)26-23(25-14)28-12-16-10-27(11-17(16)13-28)22(29)19-5-4-18(30-3)9-20(19)21-24-6-7-31-21/h4-9,16-17H,10-13H2,1-3H3
PDB

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13 -45.0n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118661
PNG
(US8653263, 314 | US9586962, Example 314)
Show SMILES Cc1noc(n1)-c1c(F)cccc1C(=O)N1CC2CN(CC2C1)c1nc(C)cc(C)n1
Show InChI InChI=1S/C22H23FN6O2/c1-12-7-13(2)25-22(24-12)29-10-15-8-28(9-16(15)11-29)21(30)17-5-4-6-18(23)19(17)20-26-14(3)27-31-20/h4-7,15-16H,8-11H2,1-3H3
PDB

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13 -45.0n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118661
PNG
(US8653263, 314 | US9586962, Example 314)
Show SMILES Cc1noc(n1)-c1c(F)cccc1C(=O)N1CC2CN(CC2C1)c1nc(C)cc(C)n1
Show InChI InChI=1S/C22H23FN6O2/c1-12-7-13(2)25-22(24-12)29-10-15-8-28(9-16(15)11-29)21(30)17-5-4-6-18(23)19(17)20-26-14(3)27-31-20/h4-7,15-16H,8-11H2,1-3H3
PDB

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13 -45.0n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118362
PNG
(US8653263, 15 | US9586962, Example 15)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1cccc(F)c1-n1nccn1
Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)17-4-3-5-18(22)19(17)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3
PDB

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13 -45.0n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM294918
PNG
(2-(4,6-Dimethylpyrimidin-2-yl)-5-{[3-fluoro-2-(4-f...)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1cccc(F)c1-c1[nH]ncc1F
Show InChI InChI=1S/C22H22F2N6O/c1-12-6-13(2)27-22(26-12)30-10-14-8-29(9-15(14)11-30)21(31)16-4-3-5-17(23)19(16)20-18(24)7-25-28-20/h3-7,14-15H,8-11H2,1-2H3,(H,25,28)
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US Patent
13 -45.0n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118352
PNG
(US8653263, 5 | US9586962, Example 5)
Show SMILES COc1cc(nc(n1)N(C)C)N1CC2CN(CC2C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H26N8O2/c1-27(2)22-25-19(10-20(26-22)32-3)28-11-15-13-29(14-16(15)12-28)21(31)17-6-4-5-7-18(17)30-23-8-9-24-30/h4-10,15-16H,11-14H2,1-3H3
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14 -44.8n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118454
PNG
(US8653263, 107 | US9586962, Example 107)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3
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US Patent
14 -44.8n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118421
PNG
(US8653263, 74 | US9586962, Example 74)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1cc(F)ccc1-c1ncccn1
Show InChI InChI=1S/C23H23FN6O/c1-14-8-15(2)28-23(27-14)30-12-16-10-29(11-17(16)13-30)22(31)20-9-18(24)4-5-19(20)21-25-6-3-7-26-21/h3-9,16-17H,10-13H2,1-2H3
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14 -44.8n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM294920
PNG
(2-(4,6-Dimethylpyrimidin-2-yl)-5-{[2-fluoro-6-(1,3...)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-c1nccs1
Show InChI InChI=1S/C22H22FN5OS/c1-13-8-14(2)26-22(25-13)28-11-15-9-27(10-16(15)12-28)21(29)19-17(4-3-5-18(19)23)20-24-6-7-30-20/h3-8,15-16H,9-12H2,1-2H3
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15 -44.7n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118646
PNG
(US8653263, 299 | US9586962, Example 299)
Show SMILES CC(C)c1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H27N7O/c1-15(2)20-10-16(3)26-23(27-20)29-13-17-11-28(12-18(17)14-29)22(31)19-6-4-5-7-21(19)30-24-8-9-25-30/h4-10,15,17-18H,11-14H2,1-3H3
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15 -44.7n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118446
PNG
(US8653263, 99 | US9586962, Example 99)
Show SMILES Cc1cc(nc(n1)C(F)(F)F)N1CC2CN(CC2C1)C(=O)c1ccc(F)cc1-n1nccn1
Show InChI InChI=1S/C21H19F4N7O/c1-12-6-18(29-20(28-12)21(23,24)25)30-8-13-10-31(11-14(13)9-30)19(33)16-3-2-15(22)7-17(16)32-26-4-5-27-32/h2-7,13-14H,8-11H2,1H3
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15 -44.7n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM118468
PNG
(US8653263, 121 | US9586962, Example 121)
Show SMILES CN(C)c1nc(cc(n1)C(F)(F)F)N1CC2CN(CC2C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H23F3N8O/c1-30(2)21-28-18(22(23,24)25)9-19(29-21)31-10-14-12-32(13-15(14)11-31)20(34)16-5-3-4-6-17(16)33-26-7-8-27-33/h3-9,14-15H,10-13H2,1-2H3
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15 -44.7n/an/an/an/an/an/a25



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US9586962 (2017)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%