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SMILES: [Cl-].Fc1ccccc1C[n+]1ccc(Cn2c3ccccc3c3ccccc23)cc1

InChI Key: InChIKey=JNWYEEZWKOJXQJ-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50464018   
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
Cholinesterase


(Equus caballus (Horse))
BDBM50464018
PNG
(CHEMBL4239674)
Show SMILES [Cl-].Fc1ccccc1C[n+]1ccc(Cn2c3ccccc3c3ccccc23)cc1
Show InChI InChI=1S/C25H20FN2/c26-23-10-4-1-7-20(23)18-27-15-13-19(14-16-27)17-28-24-11-5-2-8-21(24)22-9-3-6-12-25(22)28/h1-16H,17-18H2/q+1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 670n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...


Bioorg Med Chem 26: 4952-4962 (2018)


Article DOI: 10.1016/j.bmc.2018.08.035
BindingDB Entry DOI: 10.7270/Q2NS0XJS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50464018
PNG
(CHEMBL4239674)
Show SMILES [Cl-].Fc1ccccc1C[n+]1ccc(Cn2c3ccccc3c3ccccc23)cc1
Show InChI InChI=1S/C25H20FN2/c26-23-10-4-1-7-20(23)18-27-15-13-19(14-16-27)17-28-24-11-5-2-8-21(24)22-9-3-6-12-25(22)28/h1-16H,17-18H2/q+1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.27E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 mi...


Bioorg Med Chem 26: 4952-4962 (2018)


Article DOI: 10.1016/j.bmc.2018.08.035
BindingDB Entry DOI: 10.7270/Q2NS0XJS
More data for this
Ligand-Target Pair