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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM386887'   
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))
BDBM386887
PNG
(US10287305, Example 338 | US10508083, Example 338 ...)
Show SMILES COC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1COC1CCC(C1)c1ccccc1 |r|
Show InChI InChI=1S/C20H30N2O5S/c1-26-20(23)22-12-6-9-18(21-28(2,24)25)19(22)14-27-17-11-10-16(13-17)15-7-4-3-5-8-15/h3-5,7-8,16-19,21H,6,9-14H2,1-2H3/t16?,17?,18-,19-/m0/s1
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AstraZeneca



Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...


J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM386887
PNG
(US10287305, Example 338 | US10508083, Example 338 ...)
Show SMILES COC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1COC1CCC(C1)c1ccccc1 |r|
Show InChI InChI=1S/C20H30N2O5S/c1-26-20(23)22-12-6-9-18(21-28(2,24)25)19(22)14-27-17-11-10-16(13-17)15-7-4-3-5-8-15/h3-5,7-8,16-19,21H,6,9-14H2,1-2H3/t16?,17?,18-,19-/m0/s1
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TBA

Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CZ3BCW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM386887
PNG
(US10287305, Example 338 | US10508083, Example 338 ...)
Show SMILES COC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1COC1CCC(C1)c1ccccc1 |r|
Show InChI InChI=1S/C20H30N2O5S/c1-26-20(23)22-12-6-9-18(21-28(2,24)25)19(22)14-27-17-11-10-16(13-17)15-7-4-3-5-8-15/h3-5,7-8,16-19,21H,6,9-14H2,1-2H3/t16?,17?,18-,19-/m0/s1
PDB

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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...


US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair