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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50291606'   
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))
BDBM50291606
PNG
(CHEMBL4164981)
Show SMILES COc1ccc2C(=O)C(Cc3cc[n+](Cc4ccccc4C)cc3C(F)(F)F)CCc2c1
Show InChI InChI=1S/C26H25F3NO2/c1-17-5-3-4-6-21(17)15-30-12-11-19(24(16-30)26(27,28)29)13-20-8-7-18-14-22(32-2)9-10-23(18)25(20)31/h3-6,9-12,14,16,20H,7-8,13,15H2,1-2H3/q+1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 242n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL


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


Eur J Med Chem 145: 165-190 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.084
BindingDB Entry DOI: 10.7270/Q2FN18RR
More data for this
Ligand-Target Pair