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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for assayid = 8 entry = 50000725   
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 subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50259713
PNG
(CHEMBL4095303)
Show SMILES [H][C@]1(CCCN1C)[C@]1([H])COc2ncccc2O1 |r|
Show InChI InChI=1S/C12H16N2O2/c1-14-7-3-4-9(14)11-8-15-12-10(16-11)5-2-6-13-12/h2,5-6,9,11H,3-4,7-8H2,1H3/t9-,11-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.01E+4n/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Partial agonist activity at human alpha4beta2 nAChR expressed in GH4CL cells by whole-cell patch clamp method


Eur J Med Chem 125: 1132-1144 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.048
BindingDB Entry DOI: 10.7270/Q2PZ5C8H
More data for this
Ligand-Target Pair