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BDBM164137 US9062078, 267::US9475819, 267::US9637496, 267::US9695183, 267

SMILES: Fc1ccc(C(=O)N2C3CCC2C(C3)Nc2cnc(cn2)C(F)(F)F)c(c1)-c1ncccn1

InChI Key: InChIKey=FJQHMTUDGQPMMX-UHFFFAOYNA-N

Data: 12 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 12 hits for monomerid = 164137   
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))
BDBM164137
PNG
(US9062078, 267 | US9475819, 267 | US9637496, 267 |...)
Show SMILES Fc1ccc(C(=O)N2C3CCC2C(C3)Nc2cnc(cn2)C(F)(F)F)c(c1)-c1ncccn1
Show InChI InChI=1/C22H18F4N6O/c23-12-2-4-14(15(8-12)20-27-6-1-7-28-20)21(33)32-13-3-5-17(32)16(9-13)31-19-11-29-18(10-30-19)22(24,25)26/h1-2,4,6-8,10-11,13,16-17H,3,5,9H2,(H,30,31)
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33 -9.48n/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 US9475819 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0771
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM164137
PNG
(US9062078, 267 | US9475819, 267 | US9637496, 267 |...)
Show SMILES Fc1ccc(C(=O)N2C3CCC2C(C3)Nc2cnc(cn2)C(F)(F)F)c(c1)-c1ncccn1
Show InChI InChI=1/C22H18F4N6O/c23-12-2-4-14(15(8-12)20-27-6-1-7-28-20)21(33)32-13-3-5-17(32)16(9-13)31-19-11-29-18(10-30-19)22(24,25)26/h1-2,4,6-8,10-11,13,16-17H,3,5,9H2,(H,30,31)
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33n/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 US9637496 (2017)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM164137
PNG
(US9062078, 267 | US9475819, 267 | US9637496, 267 |...)
Show SMILES Fc1ccc(C(=O)N2C3CCC2C(C3)Nc2cnc(cn2)C(F)(F)F)c(c1)-c1ncccn1
Show InChI InChI=1/C22H18F4N6O/c23-12-2-4-14(15(8-12)20-27-6-1-7-28-20)21(33)32-13-3-5-17(32)16(9-13)31-19-11-29-18(10-30-19)22(24,25)26/h1-2,4,6-8,10-11,13,16-17H,3,5,9H2,(H,30,31)
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33 -9.48n/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 US9695183 (2017)


BindingDB Entry DOI: 10.7270/Q2N58JHM
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM164137
PNG
(US9062078, 267 | US9475819, 267 | US9637496, 267 |...)
Show SMILES Fc1ccc(C(=O)N2C3CCC2C(C3)Nc2cnc(cn2)C(F)(F)F)c(c1)-c1ncccn1
Show InChI InChI=1/C22H18F4N6O/c23-12-2-4-14(15(8-12)20-27-6-1-7-28-20)21(33)32-13-3-5-17(32)16(9-13)31-19-11-29-18(10-30-19)22(24,25)26/h1-2,4,6-8,10-11,13,16-17H,3,5,9H2,(H,30,31)
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33 -10.7n/an/an/an/an/an/a40



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% F...


US Patent US9062078 (2015)


BindingDB Entry DOI: 10.7270/Q2RX99V3
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM164137
PNG
(US9062078, 267 | US9475819, 267 | US9637496, 267 |...)
Show SMILES Fc1ccc(C(=O)N2C3CCC2C(C3)Nc2cnc(cn2)C(F)(F)F)c(c1)-c1ncccn1
Show InChI InChI=1/C22H18F4N6O/c23-12-2-4-14(15(8-12)20-27-6-1-7-28-20)21(33)32-13-3-5-17(32)16(9-13)31-19-11-29-18(10-30-19)22(24,25)26/h1-2,4,6-8,10-11,13,16-17H,3,5,9H2,(H,30,31)
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61n/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 US9637496 (2017)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM164137
PNG
(US9062078, 267 | US9475819, 267 | US9637496, 267 |...)
Show SMILES Fc1ccc(C(=O)N2C3CCC2C(C3)Nc2cnc(cn2)C(F)(F)F)c(c1)-c1ncccn1
Show InChI InChI=1/C22H18F4N6O/c23-12-2-4-14(15(8-12)20-27-6-1-7-28-20)21(33)32-13-3-5-17(32)16(9-13)31-19-11-29-18(10-30-19)22(24,25)26/h1-2,4,6-8,10-11,13,16-17H,3,5,9H2,(H,30,31)
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61 -9.14n/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 US9695183 (2017)


BindingDB Entry DOI: 10.7270/Q2N58JHM
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM164137
PNG
(US9062078, 267 | US9475819, 267 | US9637496, 267 |...)
Show SMILES Fc1ccc(C(=O)N2C3CCC2C(C3)Nc2cnc(cn2)C(F)(F)F)c(c1)-c1ncccn1
Show InChI InChI=1/C22H18F4N6O/c23-12-2-4-14(15(8-12)20-27-6-1-7-28-20)21(33)32-13-3-5-17(32)16(9-13)31-19-11-29-18(10-30-19)22(24,25)26/h1-2,4,6-8,10-11,13,16-17H,3,5,9H2,(H,30,31)
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61 -9.14n/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 US9475819 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0771
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM164137
PNG
(US9062078, 267 | US9475819, 267 | US9637496, 267 |...)
Show SMILES Fc1ccc(C(=O)N2C3CCC2C(C3)Nc2cnc(cn2)C(F)(F)F)c(c1)-c1ncccn1
Show InChI InChI=1/C22H18F4N6O/c23-12-2-4-14(15(8-12)20-27-6-1-7-28-20)21(33)32-13-3-5-17(32)16(9-13)31-19-11-29-18(10-30-19)22(24,25)26/h1-2,4,6-8,10-11,13,16-17H,3,5,9H2,(H,30,31)
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61 -9.14n/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 NM001525) or Chinese ovary cells (CHO) s...


US Patent US9062078 (2015)


BindingDB Entry DOI: 10.7270/Q2RX99V3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM164137
PNG
(US9062078, 267 | US9475819, 267 | US9637496, 267 |...)
Show SMILES Fc1ccc(C(=O)N2C3CCC2C(C3)Nc2cnc(cn2)C(F)(F)F)c(c1)-c1ncccn1
Show InChI InChI=1/C22H18F4N6O/c23-12-2-4-14(15(8-12)20-27-6-1-7-28-20)21(33)32-13-3-5-17(32)16(9-13)31-19-11-29-18(10-30-19)22(24,25)26/h1-2,4,6-8,10-11,13,16-17H,3,5,9H2,(H,30,31)
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US Patent
1.70E+3 -8.26n/an/an/an/an/an/a40



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 US9475819 (2016)


BindingDB Entry DOI: 10.7270/Q2DZ0771
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM164137
PNG
(US9062078, 267 | US9475819, 267 | US9637496, 267 |...)
Show SMILES Fc1ccc(C(=O)N2C3CCC2C(C3)Nc2cnc(cn2)C(F)(F)F)c(c1)-c1ncccn1
Show InChI InChI=1/C22H18F4N6O/c23-12-2-4-14(15(8-12)20-27-6-1-7-28-20)21(33)32-13-3-5-17(32)16(9-13)31-19-11-29-18(10-30-19)22(24,25)26/h1-2,4,6-8,10-11,13,16-17H,3,5,9H2,(H,30,31)
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US Patent
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 US9637496 (2017)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM164137
PNG
(US9062078, 267 | US9475819, 267 | US9637496, 267 |...)
Show SMILES Fc1ccc(C(=O)N2C3CCC2C(C3)Nc2cnc(cn2)C(F)(F)F)c(c1)-c1ncccn1
Show InChI InChI=1/C22H18F4N6O/c23-12-2-4-14(15(8-12)20-27-6-1-7-28-20)21(33)32-13-3-5-17(32)16(9-13)31-19-11-29-18(10-30-19)22(24,25)26/h1-2,4,6-8,10-11,13,16-17H,3,5,9H2,(H,30,31)
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1.70E+3 -8.26n/an/an/an/an/an/a40



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 US9695183 (2017)


BindingDB Entry DOI: 10.7270/Q2N58JHM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM164137
PNG
(US9062078, 267 | US9475819, 267 | US9637496, 267 |...)
Show SMILES Fc1ccc(C(=O)N2C3CCC2C(C3)Nc2cnc(cn2)C(F)(F)F)c(c1)-c1ncccn1
Show InChI InChI=1/C22H18F4N6O/c23-12-2-4-14(15(8-12)20-27-6-1-7-28-20)21(33)32-13-3-5-17(32)16(9-13)31-19-11-29-18(10-30-19)22(24,25)26/h1-2,4,6-8,10-11,13,16-17H,3,5,9H2,(H,30,31)
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1.70E+3 -8.26n/an/an/an/an/an/a40



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% F...


US Patent US9062078 (2015)


BindingDB Entry DOI: 10.7270/Q2RX99V3
More data for this
Ligand-Target Pair