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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit' and Ligand = 'BDBM50006637'   
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-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006637
PNG
(CHEMBL3235513)
Show SMILES Br.Oc1cc2CCN3CCCC3c2cc1O
Show InChI InChI=1S/C12H15NO2.BrH/c14-11-6-8-3-5-13-4-1-2-10(13)9(8)7-12(11)15;/h6-7,10,14-15H,1-5H2;1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006637
PNG
(CHEMBL3235513)
Show SMILES Br.Oc1cc2CCN3CCCC3c2cc1O
Show InChI InChI=1S/C12H15NO2.BrH/c14-11-6-8-3-5-13-4-1-2-10(13)9(8)7-12(11)15;/h6-7,10,14-15H,1-5H2;1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+6n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3/beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane pot...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair