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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor' and Ligand = 'BDBM50006623'   
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


(Rattus norvegicus (Rat))
BDBM50006623
PNG
(CHEMBL3235501)
Show SMILES [125I]c1occc1-c1cnc2OC3(Cc2c1)CN1CCC3CC1 |THB:10:11:17.18:21.20,(24.42,-38.08,;25.07,-36.69,;26.58,-36.39,;26.77,-34.87,;25.38,-34.21,;24.33,-35.34,;22.79,-35.15,;22.19,-33.73,;20.67,-33.54,;19.75,-34.77,;18.21,-34.9,;17.87,-36.4,;19.18,-37.19,;20.34,-36.18,;21.87,-36.38,;17.52,-37.76,;16.05,-36.93,;14.61,-37.42,;15.04,-36.05,;16.46,-35.6,;16.58,-33.94,;16.01,-35,)|
Show InChI InChI=1S/C17H17IN2O2/c18-15-14(3-6-21-15)12-7-11-8-17(22-16(11)19-9-12)10-20-4-1-13(17)2-5-20/h3,6-7,9,13H,1-2,4-5,8,10H2/i18-2
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Article
PubMed
0.260n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-BTX from rat alpha7-nAChR after 2 hrs by scintillation counting analysis


J Med Chem 56: 7574-89 (2013)


Article DOI: 10.1021/jm401184f
BindingDB Entry DOI: 10.7270/Q2Z3215R
More data for this
Ligand-Target Pair