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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 = 'BDBM50319946'   
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))
BDBM50319946
PNG
((1S,4S)-2-(5-(benzofuran-5-yl)pyrazin-2-yl)-5-meth...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccc2occc2c1 |r|
Show InChI InChI=1S/C18H18N4O/c1-21-10-15-7-14(21)11-22(15)18-9-19-16(8-20-18)12-2-3-17-13(6-12)4-5-23-17/h2-6,8-9,14-15H,7,10-11H2,1H3/t14-,15-/m0/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
61n/an/an/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50319946
PNG
((1S,4S)-2-(5-(benzofuran-5-yl)pyrazin-2-yl)-5-meth...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1cnc(cn1)-c1ccc2occc2c1 |r|
Show InChI InChI=1S/C18H18N4O/c1-21-10-15-7-14(21)11-22(15)18-9-19-16(8-20-18)12-2-3-17-13(6-12)4-5-23-17/h2-6,8-9,14-15H,7,10-11H2,1H3/t14-,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.10E+4n/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Agonist activity at human alpha7 nACHR expressed in Xenopus oocyte assessed as activation of current by voltage clamp method


Bioorg Med Chem Lett 20: 3636-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.105
BindingDB Entry DOI: 10.7270/Q2MC905N
More data for this
Ligand-Target Pair