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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 = 'BDBM50413091'   
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))		BDBM50413091
PNG
(CHEMBL487980)
Show SMILES COc1ccc(OCCN(CC(=O)NCC(C)C)Cc2cccs2)cc1OC
Show InChI InChI=1S/C21H30N2O4S/c1-16(2)13-22-21(24)15-23(14-18-6-5-11-28-18)9-10-27-17-7-8-19(25-3)20(12-17)26-4/h5-8,11-12,16H,9-10,13-15H2,1-4H3,(H,22,24)
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Article
PubMed
n/an/a 324n/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