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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 = 'BDBM50443415'   
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))		BDBM50443415
PNG
(CHEMBL3086835)
Show SMILES Cc1c(n2ccccc2[n+]1CCCc1ccccc1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H28N2PS/c1-24-29(32(33,26-17-7-3-8-18-26)27-19-9-4-10-20-27)31-22-12-11-21-28(31)30(24)23-13-16-25-14-5-2-6-15-25/h2-12,14-15,17-22H,13,16,23H2,1H3/q+1
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Article
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n/an/a 110n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Antagonist activity at neuropeptide S receptor (unknown origin) expressed in CHO cells assessed as cAMP level after 30 mins by phosphate-buffered sal...

J Med Chem 56: 9045-56 (2013)


Article DOI: 10.1021/jm400904m
BindingDB Entry DOI: 10.7270/Q2NG4S3Q
More data for this
Ligand-Target Pair