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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 = 'BDBM50348615'   
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))
BDBM50348615
PNG
(CHEMBL1801359)
Show SMILES COc1cccc2-c3nccn3C(CC3CCOCC3)(c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClN2O2/c1-27-20-4-2-3-19-21(20)23(26-12-11-25-22(19)26,15-16-9-13-28-14-10-16)17-5-7-18(24)8-6-17/h2-8,11-12,16H,9-10,13-15H2,1H3
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Article
PubMed
n/an/a 46n/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