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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50413095'   
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))
BDBM50413095
PNG
(CHEMBL486117)
Show SMILES COc1ccc(OCCN(CC(=O)NCc2ccccc2)Cc2cccs2)cc1OC
Show InChI InChI=1S/C24H28N2O4S/c1-28-22-11-10-20(15-23(22)29-2)30-13-12-26(17-21-9-6-14-31-21)18-24(27)25-16-19-7-4-3-5-8-19/h3-11,14-15H,12-13,16-18H2,1-2H3,(H,25,27)
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Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human OX2 receptor expressed in HEK293 cells assessed as inhibition of human orexin-A-stimulated calcium release by FLIPR assa...


Bioorg Med Chem Lett 18: 5420-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.038
BindingDB Entry DOI: 10.7270/Q27082N5
More data for this
Ligand-Target Pair