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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM163879'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Orexin receptor type 2


(Homo sapiens (Human))
BDBM163879
PNG
(US9062078, 11 | US9062078, 12A | US9062078, 12B | ...)
Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)nc1 |THB:6:7:11.10:13|
Show InChI InChI=1S/C23H21FN2O2S/c24-16-7-10-22(25-13-16)28-14-15-12-17-8-9-20(15)26(17)23(27)19-5-2-1-4-18(19)21-6-3-11-29-21/h1-7,10-11,13,15,17,20H,8-9,12,14H2
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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 US9637496 (2017)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM163879
PNG
(US9062078, 11 | US9062078, 12A | US9062078, 12B | ...)
Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)nc1 |THB:6:7:11.10:13|
Show InChI InChI=1S/C23H21FN2O2S/c24-16-7-10-22(25-13-16)28-14-15-12-17-8-9-20(15)26(17)23(27)19-5-2-1-4-18(19)21-6-3-11-29-21/h1-7,10-11,13,15,17,20H,8-9,12,14H2
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5 -49.8n/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))
BDBM163879
PNG
(US9062078, 11 | US9062078, 12A | US9062078, 12B | ...)
Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)nc1 |THB:6:7:11.10:13|
Show InChI InChI=1S/C23H21FN2O2S/c24-16-7-10-22(25-13-16)28-14-15-12-17-8-9-20(15)26(17)23(27)19-5-2-1-4-18(19)21-6-3-11-29-21/h1-7,10-11,13,15,17,20H,8-9,12,14H2
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5 -49.8n/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))
BDBM163879
PNG
(US9062078, 11 | US9062078, 12A | US9062078, 12B | ...)
Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)nc1 |THB:6:7:11.10:13|
Show InChI InChI=1S/C23H21FN2O2S/c24-16-7-10-22(25-13-16)28-14-15-12-17-8-9-20(15)26(17)23(27)19-5-2-1-4-18(19)21-6-3-11-29-21/h1-7,10-11,13,15,17,20H,8-9,12,14H2
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12 -47.5n/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))
BDBM163879
PNG
(US9062078, 11 | US9062078, 12A | US9062078, 12B | ...)
Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)nc1 |THB:6:7:11.10:13|
Show InChI InChI=1S/C23H21FN2O2S/c24-16-7-10-22(25-13-16)28-14-15-12-17-8-9-20(15)26(17)23(27)19-5-2-1-4-18(19)21-6-3-11-29-21/h1-7,10-11,13,15,17,20H,8-9,12,14H2
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12 -47.5n/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))
BDBM163879
PNG
(US9062078, 11 | US9062078, 12A | US9062078, 12B | ...)
Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)nc1 |THB:6:7:11.10:13|
Show InChI InChI=1S/C23H21FN2O2S/c24-16-7-10-22(25-13-16)28-14-15-12-17-8-9-20(15)26(17)23(27)19-5-2-1-4-18(19)21-6-3-11-29-21/h1-7,10-11,13,15,17,20H,8-9,12,14H2
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12 -47.5n/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))
BDBM163879
PNG
(US9062078, 11 | US9062078, 12A | US9062078, 12B | ...)
Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)nc1 |THB:6:7:11.10:13|
Show InChI InChI=1S/C23H21FN2O2S/c24-16-7-10-22(25-13-16)28-14-15-12-17-8-9-20(15)26(17)23(27)19-5-2-1-4-18(19)21-6-3-11-29-21/h1-7,10-11,13,15,17,20H,8-9,12,14H2
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12n/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)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM163879
PNG
(US9062078, 11 | US9062078, 12A | US9062078, 12B | ...)
Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)nc1 |THB:6:7:11.10:13|
Show InChI InChI=1S/C23H21FN2O2S/c24-16-7-10-22(25-13-16)28-14-15-12-17-8-9-20(15)26(17)23(27)19-5-2-1-4-18(19)21-6-3-11-29-21/h1-7,10-11,13,15,17,20H,8-9,12,14H2
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human OX2R


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00085
BindingDB Entry DOI: 10.7270/Q2348Q4F
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM163879
PNG
(US9062078, 11 | US9062078, 12A | US9062078, 12B | ...)
Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)nc1 |THB:6:7:11.10:13|
Show InChI InChI=1S/C23H21FN2O2S/c24-16-7-10-22(25-13-16)28-14-15-12-17-8-9-20(15)26(17)23(27)19-5-2-1-4-18(19)21-6-3-11-29-21/h1-7,10-11,13,15,17,20H,8-9,12,14H2
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339n/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)


BindingDB Entry DOI: 10.7270/Q24J0H68
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM163879
PNG
(US9062078, 11 | US9062078, 12A | US9062078, 12B | ...)
Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)nc1 |THB:6:7:11.10:13|
Show InChI InChI=1S/C23H21FN2O2S/c24-16-7-10-22(25-13-16)28-14-15-12-17-8-9-20(15)26(17)23(27)19-5-2-1-4-18(19)21-6-3-11-29-21/h1-7,10-11,13,15,17,20H,8-9,12,14H2
PDB

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339 -38.8n/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))
BDBM163879
PNG
(US9062078, 11 | US9062078, 12A | US9062078, 12B | ...)
Show SMILES Fc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cccs2)nc1 |THB:6:7:11.10:13|
Show InChI InChI=1S/C23H21FN2O2S/c24-16-7-10-22(25-13-16)28-14-15-12-17-8-9-20(15)26(17)23(27)19-5-2-1-4-18(19)21-6-3-11-29-21/h1-7,10-11,13,15,17,20H,8-9,12,14H2
PDB

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339 -38.8n/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