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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50568808'   
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


(Rattus norvegicus (rat))
BDBM50568808
PNG
(CHEMBL4857100)
Show SMILES COc1cc2CC(CC3(F)CCN(Cc4cc(F)c(F)cc4F)CC3)C(=O)c2cc1OC
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat cortex homogenate acetylcholinesterase using acetylthiocholine iodide as substrate incubated for 20 mins by Ellman's method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01863
BindingDB Entry DOI: 10.7270/Q2JW8JNQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50568808
PNG
(CHEMBL4857100)
Show SMILES COc1cc2CC(CC3(F)CCN(Cc4cc(F)c(F)cc4F)CC3)C(=O)c2cc1OC
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 5.20n/an/an/an/an/a


TBA

Assay Description
Binding affinity to CM5 sensor chip immobilized recombinant human AChE assessed as dissociation constant at 298.15 K by surface plasmon resonance ass...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01863
BindingDB Entry DOI: 10.7270/Q2JW8JNQ
More data for this
Ligand-Target Pair