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SMILES: [Br-].COc1ccc2C(=O)\C(OCc2c1OC)=C\c1cc[n+](Cc2ccccc2Cl)cc1

InChI Key: InChIKey=JTNDQEHNJUIOMS-BWLGBDCWSA-M

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50128545   
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))
BDBM50128545
PNG
(CHEMBL3628621)
Show SMILES [Br-].COc1ccc2C(=O)\C(OCc2c1OC)=C\c1cc[n+](Cc2ccccc2Cl)cc1
Show InChI InChI=1S/C24H21ClNO4.BrH/c1-28-21-8-7-18-19(24(21)29-2)15-30-22(23(18)27)13-16-9-11-26(12-10-16)14-17-5-3-4-6-20(17)25;/h3-13H,14-15H2,1-2H3;1H/q+1;/p-1/b22-13-;
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 16n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using thiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 25: 5212-6 (2015)


BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50128545
PNG
(CHEMBL3628621)
Show SMILES [Br-].COc1ccc2C(=O)\C(OCc2c1OC)=C\c1cc[n+](Cc2ccccc2Cl)cc1
Show InChI InChI=1S/C24H21ClNO4.BrH/c1-28-21-8-7-18-19(24(21)29-2)15-30-22(23(18)27)13-16-9-11-26(12-10-16)14-17-5-3-4-6-20(17)25;/h3-13H,14-15H2,1-2H3;1H/q+1;/p-1/b22-13-;
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.64E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using thiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 25: 5212-6 (2015)


BindingDB Entry DOI: 10.7270/Q2B56MKS
More data for this
Ligand-Target Pair