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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM208512'   
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/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM208512
PNG
(US9266870, 28)
Show SMILES Cc1ccc(c(n1)C(=O)N1CCCOC1Cn1ccc(n1)-c1ccc(F)cc1)-n1nccn1
Show InChI InChI=1S/C23H22FN7O2/c1-16-3-8-20(31-25-10-11-26-31)22(27-16)23(32)30-12-2-14-33-21(30)15-29-13-9-19(28-29)17-4-6-18(24)7-5-17/h3-11,13,21H,2,12,14-15H2,1H3
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PC cid
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US Patent
n/an/a 2.40n/an/an/an/a7.437



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...


US Patent US9266870 (2016)


BindingDB Entry DOI: 10.7270/Q2J38RCP
More data for this
Ligand-Target Pair