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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholine receptor subunit alpha/beta/delta/gamma' and Ligand = 'BDBM50125935'   
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
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Torpedo californica)
BDBM50125935
PNG
((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1 |r|
Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
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KEGG

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MCE
KEGG
PC cid
PC sid
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PDB
Article
PubMed
n/an/a 4.10E+4n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-[125I]-A-85,380 binding to alpha2 beta4 nicotinic acetylcholine receptor (nAChR) in rat brain


J Med Chem 46: 1257-65 (2003)


Article DOI: 10.1021/jm020465v
BindingDB Entry DOI: 10.7270/Q24J0FVZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine receptor subunit alpha/beta/delta/gamma


(MOUSE-Mus musculus)
BDBM50125935
PNG
((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1 |r|
Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant embryonic mouse muscle Nicotinic Acetylcholine Receptor (3 oocytes)


J Med Chem 46: 1257-65 (2003)


Article DOI: 10.1021/jm020465v
BindingDB Entry DOI: 10.7270/Q24J0FVZ
More data for this
Ligand-Target Pair