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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholinergic, Nicotinic Alpha3Beta2' and Ligand = 'BDBM50254600'   
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
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50254600
PNG
(3-(dimethylamino)-4-hydroxybutyl dimethylcarbamate...)
Show SMILES CN(C)C(CO)CCOC(=O)N(C)C
Show InChI InChI=1/C9H20N2O3/c1-10(2)8(7-12)5-6-14-9(13)11(3)4/h8,12H,5-7H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+5n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50254600
PNG
(3-(dimethylamino)-4-hydroxybutyl dimethylcarbamate...)
Show SMILES CN(C)C(CO)CCOC(=O)N(C)C
Show InChI InChI=1/C9H20N2O3/c1-10(2)8(7-12)5-6-14-9(13)11(3)4/h8,12H,5-7H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>3.00E+6n/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Agonist activity at alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells by FLIPR membrane potential assay


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair