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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-4/beta-2' and Ligand = 'BDBM50433572'   
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))
BDBM50433572
PNG
(CHEMBL2381568)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C13H17NO2/c1-14-9-5-8-12(14)10-16-13(15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1
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MCE
PC cid
PC sid
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Article
PubMed
23n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50433572
PNG
(CHEMBL2381568)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C13H17NO2/c1-14-9-5-8-12(14)10-16-13(15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 82n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50433572
PNG
(CHEMBL2381568)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C13H17NO2/c1-14-9-5-8-12(14)10-16-13(15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2beta2 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curren...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50433572
PNG
(CHEMBL2381568)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C13H17NO2/c1-14-9-5-8-12(14)10-16-13(15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.13E+5n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2alpha4 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair