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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50507215'   
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))
BDBM50507215
PNG
(CHEMBL4562793)
Show SMILES O=C(CCC1CCN(CC2CCCC2)CC1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C22H30N2O/c25-22(20-6-7-21-19(15-20)9-12-23-21)8-5-17-10-13-24(14-11-17)16-18-3-1-2-4-18/h6-7,9,12,15,17-18,23H,1-5,8,10-11,13-14,16H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 94n/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at ...


Eur J Med Chem 162: 234-248 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.064
BindingDB Entry DOI: 10.7270/Q2T72MRJ
More data for this
Ligand-Target Pair