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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50099429   
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
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50099429
PNG
(CHEMBL3339004)
Show SMILES CCCCN(CCCC)CCOc1ccc(cc1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C25H33NO2/c1-3-5-18-26(19-6-4-2)20-21-28-24-15-13-23(14-16-24)25(27)17-12-22-10-8-7-9-11-22/h7-17H,3-6,18-21H2,1-2H3/b17-12+
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Article
PubMed
n/an/a 2.53E+5n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 25 mins by Ellman's method


Bioorg Med Chem 22: 6124-33 (2014)


Article DOI: 10.1016/j.bmc.2014.08.033
BindingDB Entry DOI: 10.7270/Q2474CNV
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50099429
PNG
(CHEMBL3339004)
Show SMILES CCCCN(CCCC)CCOc1ccc(cc1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C25H33NO2/c1-3-5-18-26(19-6-4-2)20-21-28-24-15-13-23(14-16-24)25(27)17-12-22-10-8-7-9-11-22/h7-17H,3-6,18-21H2,1-2H3/b17-12+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.79E+5n/an/an/an/an/an/a



Hu'nan University

Curated by ChEMBL


Assay Description
Inhibition of BuChE (unknown origin) using butyrylthiocholine iodide as substrate incubated for 25 mins by Ellman's method


Bioorg Med Chem 22: 6124-33 (2014)


Article DOI: 10.1016/j.bmc.2014.08.033
BindingDB Entry DOI: 10.7270/Q2474CNV
More data for this
Ligand-Target Pair