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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-7' and Ligand = 'BDBM50393250'   
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-7


(Rattus norvegicus (Rat))
BDBM50393250
PNG
(CHEMBL2151442)
Show SMILES C1CN2CCC1CCC2c1cccnc1 |(-.29,3.18,;.12,1.99,;-1.2,1.27,;-1.76,2.72,;-.87,3.99,;.66,3.93,;1.76,2.87,;1.54,1.35,;.2,.63,;.23,-.91,;1.59,-1.65,;1.63,-3.19,;.31,-3.99,;-1.04,-3.25,;-1.08,-1.71,)|
Show InChI InChI=1S/C13H18N2/c1-2-12(10-14-7-1)13-4-3-11-5-8-15(13)9-6-11/h1-2,7,10-11,13H,3-6,8-9H2
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MCE
PC cid
PC sid
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Article
PubMed
11n/an/an/an/an/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Binding affinity to alpha7 nAChR in rat hippocampal membranes


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50393250
PNG
(CHEMBL2151442)
Show SMILES C1CN2CCC1CCC2c1cccnc1 |(-.29,3.18,;.12,1.99,;-1.2,1.27,;-1.76,2.72,;-.87,3.99,;.66,3.93,;1.76,2.87,;1.54,1.35,;.2,.63,;.23,-.91,;1.59,-1.65,;1.63,-3.19,;.31,-3.99,;-1.04,-3.25,;-1.08,-1.71,)|
Show InChI InChI=1S/C13H18N2/c1-2-12(10-14-7-1)13-4-3-11-5-8-15(13)9-6-11/h1-2,7,10-11,13H,3-6,8-9H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 440n/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nAChR expressed in Xenopus oocyte


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair