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BDBM50436809 CHEMBL3038167

SMILES: CN1C\C(=C/c2ccccc2F)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccccc1F

InChI Key: InChIKey=XEOAOELGGBXSKG-DWUZRUCUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50436809   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50436809
PNG
(CHEMBL3038167)
Show SMILES CN1C\C(=C/c2ccccc2F)C(=O)[C@]2(C1)[C@H]([C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccccc1F
Show InChI InChI=1S/C35H28F2N2O2S/c1-38-17-23(16-22-8-2-4-14-27(22)36)32(40)34(19-38)31(24-11-3-5-15-28(24)37)29-18-42-20-39(29)35(34)26-13-7-10-21-9-6-12-25(30(21)26)33(35)41/h2-16,29,31H,17-20H2,1H3/b23-16+/t29-,31-,34-,35-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.26E+4n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE after 30 mins by Ellman's method


Eur J Med Chem 65: 240-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.050
BindingDB Entry DOI: 10.7270/Q23T9JNC
More data for this
Ligand-Target Pair