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BDBM50436825 CHEMBL3038144

SMILES: CN1C\C(=C/c2ccccc2F)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccccc1F

InChI Key: InChIKey=HNLWREQNJLQCMQ-BWJNHXRWNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50436825   
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))
BDBM50436825
PNG
(CHEMBL3038144)
Show SMILES CN1C\C(=C/c2ccccc2F)C(=O)[C@]2(C1)[C@H]([C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23)c1ccccc1F
Show InChI InChI=1/C37H32F2N2O2/c1-40-21-25(20-24-10-2-4-16-29(24)38)34(42)36(22-40)33(26-13-3-5-17-30(26)39)31-18-6-7-19-41(31)37(36)28-15-9-12-23-11-8-14-27(32(23)28)35(37)43/h2-5,8-17,20,31,33H,6-7,18-19,21-22H2,1H3/b25-20+/t31-,33-,36-,37-/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.42E+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