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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor protein alpha-2 subunit/subunit beta-4' and Ligand = 'BDBM50170598'   
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
Neuronal acetylcholine receptor protein alpha-2 subunit/subunit beta-4


(Homo sapiens (Human))
BDBM50170598
PNG
(5'-phenyl-3'H-4-azaspiro[bicyclo[2.2.2]octane-2,2'...)
Show SMILES C1c2cc(cnc2OC11CN2CCC1CC2)-c1ccccc1 |TLB:7:8:14.15:12.11,(6.42,-1.42,;7.72,-.59,;9.2,-.98,;10.3,.11,;9.9,1.6,;8.4,2,;7.31,.9,;5.79,1,;5.23,-.45,;4.43,-1.59,;2.85,-.63,;2.85,.74,;3.67,1.56,;3.69,.48,;1.97,-.29,;1.2,-1.52,;11.79,-.29,;12.86,.81,;14.36,.39,;14.75,-1.1,;13.66,-2.18,;12.18,-1.78,)|
Show InChI InChI=1S/C19H20N2O/c1-2-4-14(5-3-1)16-10-15-11-19(22-18(15)20-12-16)13-21-8-6-17(19)7-9-21/h1-5,10,12,17H,6-9,11,13H2
PDB

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Effective concentration against Nicotinic acetylcholine receptor alpha2-beta4


J Med Chem 48: 4705-45 (2005)


Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79
More data for this
Ligand-Target Pair