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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 = 'BDBM50348601'   
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))		BDBM50348601
PNG
(CHEMBL1801326)
Show SMILES N#Cc1ccc(cc1)C1(CC2CCOCC2)c2ccccc2-c2nccn12
Show InChI InChI=1S/C23H21N3O/c24-16-18-5-7-19(8-6-18)23(15-17-9-13-27-14-10-17)21-4-2-1-3-20(21)22-25-11-12-26(22)23/h1-8,11-12,17H,9-10,13-15H2
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PubMed
n/an/a 635n/an/an/an/an/an/a



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