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BDBM314418 (R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)(3-methyl-6-((5-(trifluoromethyl)pyridin-2-yl)oxy)-2-azabicyclo[2.2.1]heptan-2-yl)methanone::US9611262, Example 165::US9611262, Example 198::US9611262, Example 22::US9611262, Example 22B::US9611262, Example 3::US9611262, Example 3A::US9611262, Example 3B

SMILES: CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1

InChI Key: InChIKey=WXFSUKBBTQWXBQ-UHFFFAOYSA-N

Data: 19 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 19 hits for monomerid = 314418   
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))
BDBM314418
PNG
((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H21F3N6O2/c1-12-3-5-16(31-27-7-8-28-31)20(29-12)21(32)30-13(2)14-9-17(30)18(10-14)33-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,17-18H,9-10H2,1-2H3
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5n/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))
BDBM314418
PNG
((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H21F3N6O2/c1-12-3-5-16(31-27-7-8-28-31)20(29-12)21(32)30-13(2)14-9-17(30)18(10-14)33-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,17-18H,9-10H2,1-2H3
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5n/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))
BDBM314418
PNG
((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H21F3N6O2/c1-12-3-5-16(31-27-7-8-28-31)20(29-12)21(32)30-13(2)14-9-17(30)18(10-14)33-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,17-18H,9-10H2,1-2H3
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5n/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))
BDBM314418
PNG
((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H21F3N6O2/c1-12-3-5-16(31-27-7-8-28-31)20(29-12)21(32)30-13(2)14-9-17(30)18(10-14)33-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,17-18H,9-10H2,1-2H3
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5n/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))
BDBM314418
PNG
((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H21F3N6O2/c1-12-3-5-16(31-27-7-8-28-31)20(29-12)21(32)30-13(2)14-9-17(30)18(10-14)33-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,17-18H,9-10H2,1-2H3
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6n/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))
BDBM314418
PNG
((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H21F3N6O2/c1-12-3-5-16(31-27-7-8-28-31)20(29-12)21(32)30-13(2)14-9-17(30)18(10-14)33-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,17-18H,9-10H2,1-2H3
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8n/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))
BDBM314418
PNG
((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H21F3N6O2/c1-12-3-5-16(31-27-7-8-28-31)20(29-12)21(32)30-13(2)14-9-17(30)18(10-14)33-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,17-18H,9-10H2,1-2H3
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9n/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))
BDBM314418
PNG
((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H21F3N6O2/c1-12-3-5-16(31-27-7-8-28-31)20(29-12)21(32)30-13(2)14-9-17(30)18(10-14)33-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,17-18H,9-10H2,1-2H3
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11n/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))
BDBM314418
PNG
((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H21F3N6O2/c1-12-3-5-16(31-27-7-8-28-31)20(29-12)21(32)30-13(2)14-9-17(30)18(10-14)33-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,17-18H,9-10H2,1-2H3
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14n/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))
BDBM314418
PNG
((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H21F3N6O2/c1-12-3-5-16(31-27-7-8-28-31)20(29-12)21(32)30-13(2)14-9-17(30)18(10-14)33-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,17-18H,9-10H2,1-2H3
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20n/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))
BDBM314418
PNG
((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H21F3N6O2/c1-12-3-5-16(31-27-7-8-28-31)20(29-12)21(32)30-13(2)14-9-17(30)18(10-14)33-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,17-18H,9-10H2,1-2H3
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21n/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))
BDBM314418
PNG
((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H21F3N6O2/c1-12-3-5-16(31-27-7-8-28-31)20(29-12)21(32)30-13(2)14-9-17(30)18(10-14)33-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,17-18H,9-10H2,1-2H3
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351n/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))
BDBM314418
PNG
((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H21F3N6O2/c1-12-3-5-16(31-27-7-8-28-31)20(29-12)21(32)30-13(2)14-9-17(30)18(10-14)33-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,17-18H,9-10H2,1-2H3
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426n/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))
BDBM314418
PNG
((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H21F3N6O2/c1-12-3-5-16(31-27-7-8-28-31)20(29-12)21(32)30-13(2)14-9-17(30)18(10-14)33-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,17-18H,9-10H2,1-2H3
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538n/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))
BDBM314418
PNG
((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H21F3N6O2/c1-12-3-5-16(31-27-7-8-28-31)20(29-12)21(32)30-13(2)14-9-17(30)18(10-14)33-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,17-18H,9-10H2,1-2H3
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567n/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))
BDBM314418
PNG
((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H21F3N6O2/c1-12-3-5-16(31-27-7-8-28-31)20(29-12)21(32)30-13(2)14-9-17(30)18(10-14)33-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,17-18H,9-10H2,1-2H3
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649n/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))
BDBM314418
PNG
((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H21F3N6O2/c1-12-3-5-16(31-27-7-8-28-31)20(29-12)21(32)30-13(2)14-9-17(30)18(10-14)33-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,17-18H,9-10H2,1-2H3
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841n/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))
BDBM314418
PNG
((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H21F3N6O2/c1-12-3-5-16(31-27-7-8-28-31)20(29-12)21(32)30-13(2)14-9-17(30)18(10-14)33-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,17-18H,9-10H2,1-2H3
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861n/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))
BDBM314418
PNG
((R/S)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1nc(C)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H21F3N6O2/c1-12-3-5-16(31-27-7-8-28-31)20(29-12)21(32)30-13(2)14-9-17(30)18(10-14)33-19-6-4-15(11-26-19)22(23,24)25/h3-8,11,13-14,17-18H,9-10H2,1-2H3
PDB

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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