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BDBM50402583 CHEMBL2206123

SMILES: COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4ccccc4C)cc3)c(=O)oc12

InChI Key: InChIKey=VZOIQDDBKBLHAD-ZHACJKMWSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50402583   
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))
BDBM50402583
PNG
(CHEMBL2206123)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4ccccc4C)cc3)c(=O)oc12
Show InChI InChI=1S/C26H22NO4/c1-18-6-3-4-7-21(18)17-27-14-12-19(13-15-27)10-11-23(28)22-16-20-8-5-9-24(30-2)25(20)31-26(22)29/h3-16H,17H2,1-2H3/q+1/b11-10+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.160n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


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


Bioorg Med Chem 20: 7214-22 (2012)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50402583
PNG
(CHEMBL2206123)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4ccccc4C)cc3)c(=O)oc12
Show InChI InChI=1S/C26H22NO4/c1-18-6-3-4-7-21(18)17-27-14-12-19(13-15-27)10-11-23(28)22-16-20-8-5-9-24(30-2)25(20)31-26(22)29/h3-16H,17H2,1-2H3/q+1/b11-10+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 342n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


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


Bioorg Med Chem 20: 7214-22 (2012)

More data for this
Ligand-Target Pair