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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropeptide S receptor' and Ligand = 'BDBM50348614'   
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
Neuropeptide S receptor


(Homo sapiens (Human))		BDBM50348614
PNG
(CHEMBL1801358)
Show SMILES COc1ccc-2c(c1)C(CC1CCOCC1)(c1ccc(Cl)cc1)n1ccnc-21
Show InChI InChI=1S/C23H23ClN2O2/c1-27-19-6-7-20-21(14-19)23(26-11-10-25-22(20)26,15-16-8-12-28-13-9-16)17-2-4-18(24)5-3-17/h2-7,10-11,14,16H,8-9,12-13,15H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant NPS receptor expressed in CHOK1 cells assessed as inhibition of NPS-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 20: 4704-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.016
BindingDB Entry DOI: 10.7270/Q2ZS2WVZ
More data for this
Ligand-Target Pair