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BDBM314415 (R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6-((5-(trifluoromethyl)pyridin-2-yl)oxy)-2-azabicyclo[2.2.1]heptan-2-yl)methanone::US9611262, Example 2::US9611262, Example 201::US9611262, Example 21::US9611262, Example 21A::US9611262, Example 21B::US9611262, Example 2A::US9611262, Example 2B

SMILES: CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1

InChI Key: InChIKey=GCDGVTNCUZVNHK-UHFFFAOYSA-N

Data: 20 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 314415   
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


(Homo sapiens (Human))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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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 US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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4n/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 US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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4n/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 US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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4n/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 US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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4n/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 US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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4n/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 US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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17n/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 US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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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 US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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27n/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 US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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54n/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 US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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182n/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 US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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259n/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 US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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518n/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 US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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619n/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 US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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668n/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 US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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691n/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 US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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975n/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 US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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7.10E+3n/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 US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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>1.00E+4n/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 US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM314415
PNG
((R/S)-(2-(2H-1,2,3-triazol-2-yl)phenyl)(3-methyl-6...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H20F3N5O2/c1-13-14-10-18(19(11-14)32-20-7-6-15(12-26-20)22(23,24)25)29(13)21(31)16-4-2-3-5-17(16)30-27-8-9-28-30/h2-9,12-14,18-19H,10-11H2,1H3
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>1.00E+4n/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 US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair