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Compile Data Set for Download or QSAR

Found 15 hits of ki for monomerid = 143769   
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 receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM143769
PNG
(US10183953, Example 30 | US8969352, 30 | US9611277...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ncccc2-n2nccn2)nc1
Show InChI InChI=1S/C20H17F3N6O2/c21-20(22,23)13-3-4-17(25-10-13)31-16-9-12-8-15(16)28(11-12)19(30)18-14(2-1-5-24-18)29-26-6-7-27-29/h1-7,10,12,15-16H,8-9,11H2
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19n/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)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM143769
PNG
(US10183953, Example 30 | US8969352, 30 | US9611277...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ncccc2-n2nccn2)nc1
Show InChI InChI=1S/C20H17F3N6O2/c21-20(22,23)13-3-4-17(25-10-13)31-16-9-12-8-15(16)28(11-12)19(30)18-14(2-1-5-24-18)29-26-6-7-27-29/h1-7,10,12,15-16H,8-9,11H2
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19n/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)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM143769
PNG
(US10183953, Example 30 | US8969352, 30 | US9611277...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ncccc2-n2nccn2)nc1
Show InChI InChI=1S/C20H17F3N6O2/c21-20(22,23)13-3-4-17(25-10-13)31-16-9-12-8-15(16)28(11-12)19(30)18-14(2-1-5-24-18)29-26-6-7-27-29/h1-7,10,12,15-16H,8-9,11H2
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19n/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)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM143769
PNG
(US10183953, Example 30 | US8969352, 30 | US9611277...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ncccc2-n2nccn2)nc1
Show InChI InChI=1S/C20H17F3N6O2/c21-20(22,23)13-3-4-17(25-10-13)31-16-9-12-8-15(16)28(11-12)19(30)18-14(2-1-5-24-18)29-26-6-7-27-29/h1-7,10,12,15-16H,8-9,11H2
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19n/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)

More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM143769
PNG
(US10183953, Example 30 | US8969352, 30 | US9611277...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ncccc2-n2nccn2)nc1
Show InChI InChI=1S/C20H17F3N6O2/c21-20(22,23)13-3-4-17(25-10-13)31-16-9-12-8-15(16)28(11-12)19(30)18-14(2-1-5-24-18)29-26-6-7-27-29/h1-7,10,12,15-16H,8-9,11H2
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19 -9.78n/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 receptor type 1


(Homo sapiens (Human))
BDBM143769
PNG
(US10183953, Example 30 | US8969352, 30 | US9611277...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ncccc2-n2nccn2)nc1
Show InChI InChI=1S/C20H17F3N6O2/c21-20(22,23)13-3-4-17(25-10-13)31-16-9-12-8-15(16)28(11-12)19(30)18-14(2-1-5-24-18)29-26-6-7-27-29/h1-7,10,12,15-16H,8-9,11H2
PDB

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22n/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)

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


(Homo sapiens (Human))
BDBM143769
PNG
(US10183953, Example 30 | US8969352, 30 | US9611277...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ncccc2-n2nccn2)nc1
Show InChI InChI=1S/C20H17F3N6O2/c21-20(22,23)13-3-4-17(25-10-13)31-16-9-12-8-15(16)28(11-12)19(30)18-14(2-1-5-24-18)29-26-6-7-27-29/h1-7,10,12,15-16H,8-9,11H2
PDB

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22 -9.70n/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 receptor type 1


(Homo sapiens (Human))
BDBM143769
PNG
(US10183953, Example 30 | US8969352, 30 | US9611277...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ncccc2-n2nccn2)nc1
Show InChI InChI=1S/C20H17F3N6O2/c21-20(22,23)13-3-4-17(25-10-13)31-16-9-12-8-15(16)28(11-12)19(30)18-14(2-1-5-24-18)29-26-6-7-27-29/h1-7,10,12,15-16H,8-9,11H2
PDB

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22n/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)

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


(Homo sapiens (Human))
BDBM143769
PNG
(US10183953, Example 30 | US8969352, 30 | US9611277...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ncccc2-n2nccn2)nc1
Show InChI InChI=1S/C20H17F3N6O2/c21-20(22,23)13-3-4-17(25-10-13)31-16-9-12-8-15(16)28(11-12)19(30)18-14(2-1-5-24-18)29-26-6-7-27-29/h1-7,10,12,15-16H,8-9,11H2
PDB

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22n/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)

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


(Homo sapiens (Human))
BDBM143769
PNG
(US10183953, Example 30 | US8969352, 30 | US9611277...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ncccc2-n2nccn2)nc1
Show InChI InChI=1S/C20H17F3N6O2/c21-20(22,23)13-3-4-17(25-10-13)31-16-9-12-8-15(16)28(11-12)19(30)18-14(2-1-5-24-18)29-26-6-7-27-29/h1-7,10,12,15-16H,8-9,11H2
PDB

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22n/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)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM143769
PNG
(US10183953, Example 30 | US8969352, 30 | US9611277...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ncccc2-n2nccn2)nc1
Show InChI InChI=1S/C20H17F3N6O2/c21-20(22,23)13-3-4-17(25-10-13)31-16-9-12-8-15(16)28(11-12)19(30)18-14(2-1-5-24-18)29-26-6-7-27-29/h1-7,10,12,15-16H,8-9,11H2
PDB

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1.70E+3n/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)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM143769
PNG
(US10183953, Example 30 | US8969352, 30 | US9611277...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ncccc2-n2nccn2)nc1
Show InChI InChI=1S/C20H17F3N6O2/c21-20(22,23)13-3-4-17(25-10-13)31-16-9-12-8-15(16)28(11-12)19(30)18-14(2-1-5-24-18)29-26-6-7-27-29/h1-7,10,12,15-16H,8-9,11H2
PDB

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1.70E+3n/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))
BDBM143769
PNG
(US10183953, Example 30 | US8969352, 30 | US9611277...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ncccc2-n2nccn2)nc1
Show InChI InChI=1S/C20H17F3N6O2/c21-20(22,23)13-3-4-17(25-10-13)31-16-9-12-8-15(16)28(11-12)19(30)18-14(2-1-5-24-18)29-26-6-7-27-29/h1-7,10,12,15-16H,8-9,11H2
PDB

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1.70E+3n/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)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM143769
PNG
(US10183953, Example 30 | US8969352, 30 | US9611277...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ncccc2-n2nccn2)nc1
Show InChI InChI=1S/C20H17F3N6O2/c21-20(22,23)13-3-4-17(25-10-13)31-16-9-12-8-15(16)28(11-12)19(30)18-14(2-1-5-24-18)29-26-6-7-27-29/h1-7,10,12,15-16H,8-9,11H2
PDB

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1.70E+3n/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)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM143769
PNG
(US10183953, Example 30 | US8969352, 30 | US9611277...)
Show SMILES FC(F)(F)c1ccc(OC2CC3CC2N(C3)C(=O)c2ncccc2-n2nccn2)nc1
Show InChI InChI=1S/C20H17F3N6O2/c21-20(22,23)13-3-4-17(25-10-13)31-16-9-12-8-15(16)28(11-12)19(30)18-14(2-1-5-24-18)29-26-6-7-27-29/h1-7,10,12,15-16H,8-9,11H2
PDB

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1.70E+3n/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)

More data for this
Ligand-Target Pair