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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 = 'BDBM50413099'   
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))		BDBM50413099
PNG
(CHEMBL485717)
Show SMILES COc1ccc(OCCN(CC(=O)NCc2ccccc2Cl)Cc2cccs2)cc1OC
Show InChI InChI=1S/C24H27ClN2O4S/c1-29-22-10-9-19(14-23(22)30-2)31-12-11-27(16-20-7-5-13-32-20)17-24(28)26-15-18-6-3-4-8-21(18)25/h3-10,13-14H,11-12,15-17H2,1-2H3,(H,26,28)
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n/an/a 195n/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