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Compile Data Set for Download or QSAR

Found 18 hits of ki for monomerid = 143798   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))
BDBM143798
PNG
(US10183953, Example 59 | US8969352, 59 | US9611277...)
Show SMILES FC(F)(F)c1cnc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)cn1 |TLB:16:14:9.10:12,THB:8:9:14.15:12|
Show InChI InChI=1S/C20H18F3N7O/c21-20(22,23)17-9-25-18(10-24-17)28-14-7-12-8-16(14)29(11-12)19(31)13-3-1-2-4-15(13)30-26-5-6-27-30/h1-6,9-10,12,14,16H,7-8,11H2,(H,25,28)
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6n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US10183953 (2019)


BindingDB Entry DOI: 10.7270/Q2Z60R5Q
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))
BDBM143798
PNG
(US10183953, Example 59 | US8969352, 59 | US9611277...)
Show SMILES FC(F)(F)c1cnc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)cn1 |TLB:16:14:9.10:12,THB:8:9:14.15:12|
Show InChI InChI=1S/C20H18F3N7O/c21-20(22,23)17-9-25-18(10-24-17)28-14-7-12-8-16(14)29(11-12)19(31)13-3-1-2-4-15(13)30-26-5-6-27-30/h1-6,9-10,12,14,16H,7-8,11H2,(H,25,28)
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6n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Rat and Human Orexin 1 Receptor:Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_00152...


US Patent US9845333 (2017)


BindingDB Entry DOI: 10.7270/Q21838TW
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))
BDBM143798
PNG
(US10183953, Example 59 | US8969352, 59 | US9611277...)
Show SMILES FC(F)(F)c1cnc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)cn1 |TLB:16:14:9.10:12,THB:8:9:14.15:12|
Show InChI InChI=1S/C20H18F3N7O/c21-20(22,23)17-9-25-18(10-24-17)28-14-7-12-8-16(14)29(11-12)19(31)13-3-1-2-4-15(13)30-26-5-6-27-30/h1-6,9-10,12,14,16H,7-8,11H2,(H,25,28)
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6n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)


BindingDB Entry DOI: 10.7270/Q24B33D2
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))
BDBM143798
PNG
(US10183953, Example 59 | US8969352, 59 | US9611277...)
Show SMILES FC(F)(F)c1cnc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)cn1 |TLB:16:14:9.10:12,THB:8:9:14.15:12|
Show InChI InChI=1S/C20H18F3N7O/c21-20(22,23)17-9-25-18(10-24-17)28-14-7-12-8-16(14)29(11-12)19(31)13-3-1-2-4-15(13)30-26-5-6-27-30/h1-6,9-10,12,14,16H,7-8,11H2,(H,25,28)
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6 -10.4n/an/an/an/an/an/a4



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM 001525) or Chinese ovary cells (CHO) ...


US Patent US8969352 (2015)


BindingDB Entry DOI: 10.7270/Q2FB51PC
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))
BDBM143798
PNG
(US10183953, Example 59 | US8969352, 59 | US9611277...)
Show SMILES FC(F)(F)c1cnc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)cn1 |TLB:16:14:9.10:12,THB:8:9:14.15:12|
Show InChI InChI=1S/C20H18F3N7O/c21-20(22,23)17-9-25-18(10-24-17)28-14-7-12-8-16(14)29(11-12)19(31)13-3-1-2-4-15(13)30-26-5-6-27-30/h1-6,9-10,12,14,16H,7-8,11H2,(H,25,28)
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6n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US10183953 (2019)


BindingDB Entry DOI: 10.7270/Q2Z60R5Q
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))
BDBM143798
PNG
(US10183953, Example 59 | US8969352, 59 | US9611277...)
Show SMILES FC(F)(F)c1cnc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)cn1 |TLB:16:14:9.10:12,THB:8:9:14.15:12|
Show InChI InChI=1S/C20H18F3N7O/c21-20(22,23)17-9-25-18(10-24-17)28-14-7-12-8-16(14)29(11-12)19(31)13-3-1-2-4-15(13)30-26-5-6-27-30/h1-6,9-10,12,14,16H,7-8,11H2,(H,25,28)
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6n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611277 (2017)


BindingDB Entry DOI: 10.7270/Q24B33D2
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM143798
PNG
(US10183953, Example 59 | US8969352, 59 | US9611277...)
Show SMILES FC(F)(F)c1cnc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)cn1 |TLB:16:14:9.10:12,THB:8:9:14.15:12|
Show InChI InChI=1S/C20H18F3N7O/c21-20(22,23)17-9-25-18(10-24-17)28-14-7-12-8-16(14)29(11-12)19(31)13-3-1-2-4-15(13)30-26-5-6-27-30/h1-6,9-10,12,14,16H,7-8,11H2,(H,25,28)
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7n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
CHO cells stably transfected with the human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12, 10% FBS, 1×...


US Patent US10183953 (2019)


BindingDB Entry DOI: 10.7270/Q2Z60R5Q
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM143798
PNG
(US10183953, Example 59 | US8969352, 59 | US9611277...)
Show SMILES FC(F)(F)c1cnc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)cn1 |TLB:16:14:9.10:12,THB:8:9:14.15:12|
Show InChI InChI=1S/C20H18F3N7O/c21-20(22,23)17-9-25-18(10-24-17)28-14-7-12-8-16(14)29(11-12)19(31)13-3-1-2-4-15(13)30-26-5-6-27-30/h1-6,9-10,12,14,16H,7-8,11H2,(H,25,28)
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7n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)


BindingDB Entry DOI: 10.7270/Q24B33D2
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM143798
PNG
(US10183953, Example 59 | US8969352, 59 | US9611277...)
Show SMILES FC(F)(F)c1cnc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)cn1 |TLB:16:14:9.10:12,THB:8:9:14.15:12|
Show InChI InChI=1S/C20H18F3N7O/c21-20(22,23)17-9-25-18(10-24-17)28-14-7-12-8-16(14)29(11-12)19(31)13-3-1-2-4-15(13)30-26-5-6-27-30/h1-6,9-10,12,14,16H,7-8,11H2,(H,25,28)
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9n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)


BindingDB Entry DOI: 10.7270/Q24B33D2
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM143798
PNG
(US10183953, Example 59 | US8969352, 59 | US9611277...)
Show SMILES FC(F)(F)c1cnc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)cn1 |TLB:16:14:9.10:12,THB:8:9:14.15:12|
Show InChI InChI=1S/C20H18F3N7O/c21-20(22,23)17-9-25-18(10-24-17)28-14-7-12-8-16(14)29(11-12)19(31)13-3-1-2-4-15(13)30-26-5-6-27-30/h1-6,9-10,12,14,16H,7-8,11H2,(H,25,28)
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9 -10.2n/an/an/an/an/an/a4



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM 001525) or Chinese ovary cells (CHO) ...


US Patent US8969352 (2015)


BindingDB Entry DOI: 10.7270/Q2FB51PC
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM143798
PNG
(US10183953, Example 59 | US8969352, 59 | US9611277...)
Show SMILES FC(F)(F)c1cnc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)cn1 |TLB:16:14:9.10:12,THB:8:9:14.15:12|
Show InChI InChI=1S/C20H18F3N7O/c21-20(22,23)17-9-25-18(10-24-17)28-14-7-12-8-16(14)29(11-12)19(31)13-3-1-2-4-15(13)30-26-5-6-27-30/h1-6,9-10,12,14,16H,7-8,11H2,(H,25,28)
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9n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Rat and Human Orexin 1 Receptor:Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_00152...


US Patent US9845333 (2017)


BindingDB Entry DOI: 10.7270/Q21838TW
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM143798
PNG
(US10183953, Example 59 | US8969352, 59 | US9611277...)
Show SMILES FC(F)(F)c1cnc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)cn1 |TLB:16:14:9.10:12,THB:8:9:14.15:12|
Show InChI InChI=1S/C20H18F3N7O/c21-20(22,23)17-9-25-18(10-24-17)28-14-7-12-8-16(14)29(11-12)19(31)13-3-1-2-4-15(13)30-26-5-6-27-30/h1-6,9-10,12,14,16H,7-8,11H2,(H,25,28)
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9n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
CHO cells stably transfected with the human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12, 10% FBS, 1×...


US Patent US10183953 (2019)


BindingDB Entry DOI: 10.7270/Q2Z60R5Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM143798
PNG
(US10183953, Example 59 | US8969352, 59 | US9611277...)
Show SMILES FC(F)(F)c1cnc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)cn1 |TLB:16:14:9.10:12,THB:8:9:14.15:12|
Show InChI InChI=1S/C20H18F3N7O/c21-20(22,23)17-9-25-18(10-24-17)28-14-7-12-8-16(14)29(11-12)19(31)13-3-1-2-4-15(13)30-26-5-6-27-30/h1-6,9-10,12,14,16H,7-8,11H2,(H,25,28)
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192n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
PFSK-1 cells endogenously expressing the human orexin 2 receptor were grown to confluency in RPMI1640 (Hyclone, cat #30027.02), 10% FBS, 1× pen-strep...


US Patent US10183953 (2019)


BindingDB Entry DOI: 10.7270/Q2Z60R5Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM143798
PNG
(US10183953, Example 59 | US8969352, 59 | US9611277...)
Show SMILES FC(F)(F)c1cnc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)cn1 |TLB:16:14:9.10:12,THB:8:9:14.15:12|
Show InChI InChI=1S/C20H18F3N7O/c21-20(22,23)17-9-25-18(10-24-17)28-14-7-12-8-16(14)29(11-12)19(31)13-3-1-2-4-15(13)30-26-5-6-27-30/h1-6,9-10,12,14,16H,7-8,11H2,(H,25,28)
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192n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)


BindingDB Entry DOI: 10.7270/Q24B33D2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM143798
PNG
(US10183953, Example 59 | US8969352, 59 | US9611277...)
Show SMILES FC(F)(F)c1cnc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)cn1 |TLB:16:14:9.10:12,THB:8:9:14.15:12|
Show InChI InChI=1S/C20H18F3N7O/c21-20(22,23)17-9-25-18(10-24-17)28-14-7-12-8-16(14)29(11-12)19(31)13-3-1-2-4-15(13)30-26-5-6-27-30/h1-6,9-10,12,14,16H,7-8,11H2,(H,25,28)
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213n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)


BindingDB Entry DOI: 10.7270/Q24B33D2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM143798
PNG
(US10183953, Example 59 | US8969352, 59 | US9611277...)
Show SMILES FC(F)(F)c1cnc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)cn1 |TLB:16:14:9.10:12,THB:8:9:14.15:12|
Show InChI InChI=1S/C20H18F3N7O/c21-20(22,23)17-9-25-18(10-24-17)28-14-7-12-8-16(14)29(11-12)19(31)13-3-1-2-4-15(13)30-26-5-6-27-30/h1-6,9-10,12,14,16H,7-8,11H2,(H,25,28)
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213n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM 001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US8969352 (2015)


BindingDB Entry DOI: 10.7270/Q2FB51PC
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM143798
PNG
(US10183953, Example 59 | US8969352, 59 | US9611277...)
Show SMILES FC(F)(F)c1cnc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)cn1 |TLB:16:14:9.10:12,THB:8:9:14.15:12|
Show InChI InChI=1S/C20H18F3N7O/c21-20(22,23)17-9-25-18(10-24-17)28-14-7-12-8-16(14)29(11-12)19(31)13-3-1-2-4-15(13)30-26-5-6-27-30/h1-6,9-10,12,14,16H,7-8,11H2,(H,25,28)
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213n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
PFSK-1 cells endogenously expressing the human orexin 2 receptor were grown to confluency in RPMI1640 (Hyclone, cat #30027.02), 10% FBS, 1× pen-strep...


US Patent US10183953 (2019)


BindingDB Entry DOI: 10.7270/Q2Z60R5Q
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Rattus norvegicus (Rat))
BDBM143798
PNG
(US10183953, Example 59 | US8969352, 59 | US9611277...)
Show SMILES FC(F)(F)c1cnc(NC2CC3CC2N(C3)C(=O)c2ccccc2-n2nccn2)cn1 |TLB:16:14:9.10:12,THB:8:9:14.15:12|
Show InChI InChI=1S/C20H18F3N7O/c21-20(22,23)17-9-25-18(10-24-17)28-14-7-12-8-16(14)29(11-12)19(31)13-3-1-2-4-15(13)30-26-5-6-27-30/h1-6,9-10,12,14,16H,7-8,11H2,(H,25,28)
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US Patent
213n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Human Orexin 2 Receptor:HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hycl...


US Patent US9845333 (2017)


BindingDB Entry DOI: 10.7270/Q21838TW
More data for this
Ligand-Target Pair