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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50550232'   
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


(Electrophorus electricus (Electric eel))
BDBM50550232
PNG
(CHEMBL4762083)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CN(CCCCCCCCNc3c4CCCCc4nc4ccccc34)C(=O)CCCC[C@@H]3CCSS3)c2c1 |r|
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 3.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Electrophorus electricus AChE pre-incubated for 10 mins before addition of acetylthiocholine iodide substrate and further incubated for...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WH2TMM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50550232
PNG
(CHEMBL4762083)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CN(CCCCCCCCNc3c4CCCCc4nc4ccccc34)C(=O)CCCC[C@@H]3CCSS3)c2c1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 180n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AChE in human erythrocyte hemo-lyzates pre-incubated for 5 mins before addition of acetylthiocholine iodide substrate by Ellman's metho...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WH2TMM
More data for this
Ligand-Target Pair