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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-3/beta-4' and Ligand = 'BDBM50465458'   
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-3/beta-4


(Homo sapiens (Human))
BDBM50465458
PNG
(CHEMBL1199383)
Show SMILES CN1CCC[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C11H15N/c1-12-9-5-8-11(12)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3/t11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
370n/an/an/an/an/an/an/an/a



Indiana State University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK cell membranes after 4 hrs by liquid scintillation counting ...


J Nat Prod 81: 1029-1035 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00062
BindingDB Entry DOI: 10.7270/Q2R49TF0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Rattus norvegicus (Rat))
BDBM50465458
PNG
(CHEMBL1199383)
Show SMILES CN1CCC[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C11H15N/c1-12-9-5-8-11(12)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3/t11-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.70E+4n/an/an/an/a



Indiana State University

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha3beta4 nAChR by cell-based rubidium flux assay


J Nat Prod 81: 1029-1035 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00062
BindingDB Entry DOI: 10.7270/Q2R49TF0
More data for this
Ligand-Target Pair