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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nicotinic acetylcholine receptor alpha 5 subunit' and Ligand = 'BDBM50212288'   
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
Nicotinic acetylcholine receptor alpha 5 subunit


(Musca domestica)
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1 |t:4|
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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Article
PubMed
4.60n/an/an/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Displacement of [3H]IMI from Musca domestica (house fly) brain nicotinic acetylcholine receptor


J Agric Food Chem 58: 11832-6 (2010)


Article DOI: 10.1021/jf102819n
BindingDB Entry DOI: 10.7270/Q2M61P38
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit


(Musca domestica)
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1 |t:4|
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [3H]IMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membrane after 90 min by filter binding assay


J Neurochem 75: 1294-303 (2000)


Article DOI: 10.1046/j.1471-4159.2000.751294.x
BindingDB Entry DOI: 10.7270/Q2H134XH
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit


(Musca domestica)
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1 |t:4|
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
MMDB

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UniProtKB/TrEMBL

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PC sid
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UniChem

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Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Displacement of [3HIMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membranes incubated for 60 min by liquid scintillati...


Biosci Biotechnol Biochem 67: 980-8 (2003)


Article DOI: 10.1271/bbb.67.980
BindingDB Entry DOI: 10.7270/Q2KS6VGQ
More data for this
Ligand-Target Pair