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SMILES: COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\C(C)c1ccccc1

InChI Key: InChIKey=FYJTVIQVVVTNEN-DQSJHHFOSA-O

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 = 50358096   
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))
BDBM50358096
PNG
(CHEMBL1915210)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\C(C)c1ccccc1
Show InChI InChI=1S/C27H24N2O3/c1-17(18-6-4-3-5-7-18)28-27-22-15-29-11-10-20-13-25-26(32-16-31-25)14-21(20)23(29)12-19(22)8-9-24(27)30-2/h3-9,12-15,17H,10-11,16H2,1-2H3/p+1/b28-27-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.28E+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))
BDBM50358096
PNG
(CHEMBL1915210)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\C(C)c1ccccc1
Show InChI InChI=1S/C27H24N2O3/c1-17(18-6-4-3-5-7-18)28-27-22-15-29-11-10-20-13-25-26(32-16-31-25)14-21(20)23(29)12-19(22)8-9-24(27)30-2/h3-9,12-15,17H,10-11,16H2,1-2H3/p+1/b28-27-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.91E+3n/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