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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' and Ligand = 'BDBM50275308'   
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


(Rattus norvegicus (Rat))
BDBM50275308
PNG
(3-((Isobutyryloxy)-1-methylpropyl)dimethylammonium...)
Show SMILES CC(C)C(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C10H21NO2/c1-8(2)10(12)13-7-6-9(3)11(4)5/h8-9H,6-7H2,1-5H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.50E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275308
PNG
(3-((Isobutyryloxy)-1-methylpropyl)dimethylammonium...)
Show SMILES CC(C)C(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C10H21NO2/c1-8(2)10(12)13-7-6-9(3)11(4)5/h8-9H,6-7H2,1-5H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.40E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha-3-beta-4 nAChR expressed in HEK293 cells by FMP assay


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair