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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'alpha-1 Nicotinic AChR' and Ligand = 'BDBM50248045'   
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
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM50248045
PNG
((S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylca...)
Show SMILES C[C@H](OC(=O)N[C@@H]1CN2CCC1CC2)c1ccccc1F |r,wD:6.5,1.0,(32.55,-17.37,;32.55,-18.91,;33.89,-19.68,;35.22,-18.9,;35.21,-17.36,;36.56,-19.67,;37.89,-18.89,;37.87,-17.35,;39.21,-16.58,;40.54,-17.35,;40.54,-18.89,;39.22,-19.66,;38.48,-18.3,;39.97,-17.9,;31.22,-19.69,;31.23,-21.24,;29.89,-22.01,;28.56,-21.24,;28.56,-19.69,;29.89,-18.92,;29.88,-17.38,)|
Show InChI InChI=1S/C16H21FN2O2/c1-11(13-4-2-3-5-14(13)17)21-16(20)18-15-10-19-8-6-12(15)7-9-19/h2-5,11-12,15H,6-10H2,1H3,(H,18,20)/t11-,15+/m0/s1
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Article
PubMed
n/an/a 1.26E+5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1-beta-1-gamma-delta nAChR expressed in human TE671 cells by calcium influx assay


Bioorg Med Chem Lett 19: 1287-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.073
BindingDB Entry DOI: 10.7270/Q2GM875B
More data for this
Ligand-Target Pair