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SMILES: COc1ccc(CC\[NH+]=c2/c(OC)ccc3cc4-c5cc6OCOc6cc5CCn4cc23)cc1OC

InChI Key: InChIKey=NTEAWPVEFUUGMH-FLWNBWAVSA-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 = 50358092   
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))
BDBM50358092
PNG
(CHEMBL1915206)
Show SMILES COc1ccc(CC\[NH+]=c2/c(OC)ccc3cc4-c5cc6OCOc6cc5CCn4cc23)cc1OC
Show InChI InChI=1S/C29H28N2O5/c1-32-24-6-4-18(12-26(24)34-3)8-10-30-29-22-16-31-11-9-20-14-27-28(36-17-35-27)15-21(20)23(31)13-19(22)5-7-25(29)33-2/h4-7,12-16H,8-11,17H2,1-3H3/p+1/b30-29-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.82E+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))
BDBM50358092
PNG
(CHEMBL1915206)
Show SMILES COc1ccc(CC\[NH+]=c2/c(OC)ccc3cc4-c5cc6OCOc6cc5CCn4cc23)cc1OC
Show InChI InChI=1S/C29H28N2O5/c1-32-24-6-4-18(12-26(24)34-3)8-10-30-29-22-16-31-11-9-20-14-27-28(36-17-35-27)15-21(20)23(31)13-19(22)5-7-25(29)33-2/h4-7,12-16H,8-11,17H2,1-3H3/p+1/b30-29-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 160n/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