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SMILES: COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\Cc1ccccc1

InChI Key: InChIKey=XEDNRGSTIPLFLT-RQZHXJHFSA-O

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 = 50358078   
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))
BDBM50358078
PNG
(CHEMBL1915195)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\Cc1ccccc1
Show InChI InChI=1S/C26H22N2O3/c1-29-23-8-7-18-11-22-20-13-25-24(30-16-31-25)12-19(20)9-10-28(22)15-21(18)26(23)27-14-17-5-3-2-4-6-17/h2-8,11-13,15H,9-10,14,16H2,1H3/p+1/b27-26-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.28E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50358078
PNG
(CHEMBL1915195)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\Cc1ccccc1
Show InChI InChI=1S/C26H22N2O3/c1-29-23-8-7-18-11-22-20-13-25-24(30-16-31-25)12-19(20)9-10-28(22)15-21(18)26(23)27-14-17-5-3-2-4-6-17/h2-8,11-13,15H,9-10,14,16H2,1H3/p+1/b27-26-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 936n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair