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SMILES: COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCc1ccc(Cl)cc1Cl

InChI Key: InChIKey=PBBXRVDYZTTYNZ-IKPAITLHSA-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 = 50358093   
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))
BDBM50358093
PNG
(CHEMBL1915207)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H22Cl2N2O3/c1-32-24-5-3-17-10-23-20-13-26-25(33-15-34-26)11-18(20)7-9-31(23)14-21(17)27(24)30-8-6-16-2-4-19(28)12-22(16)29/h2-5,10-14H,6-9,15H2,1H3/p+1/b30-27-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 424n/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))
BDBM50358093
PNG
(CHEMBL1915207)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H22Cl2N2O3/c1-32-24-5-3-17-10-23-20-13-26-25(33-15-34-26)11-18(20)7-9-31(23)14-21(17)27(24)30-8-6-16-2-4-19(28)12-22(16)29/h2-5,10-14H,6-9,15H2,1H3/p+1/b30-27-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/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