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BDBM164145 US9062078, 275::US9475819, 275::US9637496, 275::US9695183, 275

SMILES: COC(=O)c1cnc(NC2CC3CCC2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1

InChI Key: InChIKey=ZIZGVCWGNPUWSN-UHFFFAOYNA-N

Data: 8 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 8 hits for monomerid = 164145   
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 2


(Homo sapiens (Human))
BDBM164145
PNG
(US9062078, 275 | US9475819, 275 | US9637496, 275 |...)
Show SMILES COC(=O)c1cnc(NC2CC3CCC2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1
Show InChI InChI=1/C23H21FN6O3/c1-33-23(32)17-11-28-19(12-27-17)29-16-10-13-6-7-18(16)30(13)22(31)14-4-2-5-15(24)20(14)21-25-8-3-9-26-21/h2-5,8-9,11-13,16,18H,6-7,10H2,1H3,(H,28,29)
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US Patent
>1.00E+4>-7.16n/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 (OX1)


(Rattus norvegicus (Rat))
BDBM164145
PNG
(US9062078, 275 | US9475819, 275 | US9637496, 275 |...)
Show SMILES COC(=O)c1cnc(NC2CC3CCC2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1
Show InChI InChI=1/C23H21FN6O3/c1-33-23(32)17-11-28-19(12-27-17)29-16-10-13-6-7-18(16)30(13)22(31)14-4-2-5-15(24)20(14)21-25-8-3-9-26-21/h2-5,8-9,11-13,16,18H,6-7,10H2,1H3,(H,28,29)
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US Patent
>1.00E+4>-7.16n/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 2


(Homo sapiens (Human))
BDBM164145
PNG
(US9062078, 275 | US9475819, 275 | US9637496, 275 |...)
Show SMILES COC(=O)c1cnc(NC2CC3CCC2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1
Show InChI InChI=1/C23H21FN6O3/c1-33-23(32)17-11-28-19(12-27-17)29-16-10-13-6-7-18(16)30(13)22(31)14-4-2-5-15(24)20(14)21-25-8-3-9-26-21/h2-5,8-9,11-13,16,18H,6-7,10H2,1H3,(H,28,29)
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US Patent
>1.00E+4>-7.16n/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))
BDBM164145
PNG
(US9062078, 275 | US9475819, 275 | US9637496, 275 |...)
Show SMILES COC(=O)c1cnc(NC2CC3CCC2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1
Show InChI InChI=1/C23H21FN6O3/c1-33-23(32)17-11-28-19(12-27-17)29-16-10-13-6-7-18(16)30(13)22(31)14-4-2-5-15(24)20(14)21-25-8-3-9-26-21/h2-5,8-9,11-13,16,18H,6-7,10H2,1H3,(H,28,29)
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Article
US Patent
>1.00E+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 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))
BDBM164145
PNG
(US9062078, 275 | US9475819, 275 | US9637496, 275 |...)
Show SMILES COC(=O)c1cnc(NC2CC3CCC2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1
Show InChI InChI=1/C23H21FN6O3/c1-33-23(32)17-11-28-19(12-27-17)29-16-10-13-6-7-18(16)30(13)22(31)14-4-2-5-15(24)20(14)21-25-8-3-9-26-21/h2-5,8-9,11-13,16,18H,6-7,10H2,1H3,(H,28,29)
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US Patent
>1.00E+4>-6.34n/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 2


(Homo sapiens (Human))
BDBM164145
PNG
(US9062078, 275 | US9475819, 275 | US9637496, 275 |...)
Show SMILES COC(=O)c1cnc(NC2CC3CCC2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1
Show InChI InChI=1/C23H21FN6O3/c1-33-23(32)17-11-28-19(12-27-17)29-16-10-13-6-7-18(16)30(13)22(31)14-4-2-5-15(24)20(14)21-25-8-3-9-26-21/h2-5,8-9,11-13,16,18H,6-7,10H2,1H3,(H,28,29)
PDB

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US Patent
>1.00E+4>-7.16n/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 1 (OX1)


(Rattus norvegicus (Rat))
BDBM164145
PNG
(US9062078, 275 | US9475819, 275 | US9637496, 275 |...)
Show SMILES COC(=O)c1cnc(NC2CC3CCC2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1
Show InChI InChI=1/C23H21FN6O3/c1-33-23(32)17-11-28-19(12-27-17)29-16-10-13-6-7-18(16)30(13)22(31)14-4-2-5-15(24)20(14)21-25-8-3-9-26-21/h2-5,8-9,11-13,16,18H,6-7,10H2,1H3,(H,28,29)
PDB

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Article
US Patent
>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 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))
BDBM164145
PNG
(US9062078, 275 | US9475819, 275 | US9637496, 275 |...)
Show SMILES COC(=O)c1cnc(NC2CC3CCC2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1
Show InChI InChI=1/C23H21FN6O3/c1-33-23(32)17-11-28-19(12-27-17)29-16-10-13-6-7-18(16)30(13)22(31)14-4-2-5-15(24)20(14)21-25-8-3-9-26-21/h2-5,8-9,11-13,16,18H,6-7,10H2,1H3,(H,28,29)
PDB

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US Patent
>1.00E+4>-6.34n/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