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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50278955'   
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))
BDBM50278955
PNG
(CHEMBL506103 | CHEMBL610752 | cis-2-(6-Phenyl-pyri...)
Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1ccc(nn1)-c1ccccc1 |r|
Show InChI InChI=1S/C16H18N4/c1-2-4-12(5-3-1)15-6-7-16(19-18-15)20-10-13-8-17-9-14(13)11-20/h1-7,13-14,17H,8-11H2/t13-,14+
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Article
PubMed
17.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane


J Med Chem 52: 4126-41 (2009)


Article DOI: 10.1021/jm900249k
BindingDB Entry DOI: 10.7270/Q2GT5P3R
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50278955
PNG
(CHEMBL506103 | CHEMBL610752 | cis-2-(6-Phenyl-pyri...)
Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1ccc(nn1)-c1ccccc1 |r|
Show InChI InChI=1S/C16H18N4/c1-2-4-12(5-3-1)15-6-7-16(19-18-15)20-10-13-8-17-9-14(13)11-20/h1-7,13-14,17H,8-11H2/t13-,14+
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PubMed
18n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 20: 104-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50278955
PNG
(CHEMBL506103 | CHEMBL610752 | cis-2-(6-Phenyl-pyri...)
Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1ccc(nn1)-c1ccccc1 |r|
Show InChI InChI=1S/C16H18N4/c1-2-4-12(5-3-1)15-6-7-16(19-18-15)20-10-13-8-17-9-14(13)11-20/h1-7,13-14,17H,8-11H2/t13-,14+
PDB

KEGG

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Article
PubMed
n/an/an/an/a 1.15E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant alpha7 nicotinic acetylcholine receptor expressed in xenopus laevis oocytes by parallel oocyte electrophysiolog...


J Med Chem 52: 4126-41 (2009)


Article DOI: 10.1021/jm900249k
BindingDB Entry DOI: 10.7270/Q2GT5P3R
More data for this
Ligand-Target Pair