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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 = 'BDBM50400739'   
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))
BDBM50400739
PNG
(CHEMBL2203550)
Show SMILES Clc1cncc(OCc2cc(OC[C@@H]3CCN3)no2)c1
Show InChI InChI=1S/C13H14ClN3O3/c14-9-3-11(6-15-5-9)18-8-12-4-13(17-20-12)19-7-10-1-2-16-10/h3-6,10,16H,1-2,7-8H2/t10-/m0/s1
PDB

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.82E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha2beta4 nAChR after 4 hrs by liquid scintillation counting analysis


ACS Med Chem Lett 3: 1054-1058 (2012)


Article DOI: 10.1021/ml3002715
BindingDB Entry DOI: 10.7270/Q25M66WS
More data for this
Ligand-Target Pair