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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50267506'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50267506
PNG
(CHEMBL4071918)
Show SMILES CCN(CCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C32H36N2O8/c1-6-34(19-22-9-7-8-10-25(22)37-2)16-15-33-29(36)20-41-23-13-11-21(12-14-23)26-17-24(35)30-27(42-26)18-28(38-3)31(39-4)32(30)40-5/h7-14,17-18H,6,15-16,19-20H2,1-5H3,(H,33,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.39E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of rat cortex homogenate AChE using acetylthiocholine iodide as substrate after 15 mins in presence of BuChE inhibitor iso-OMPA by Ellman'...


Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50267506
PNG
(CHEMBL4071918)
Show SMILES CCN(CCNC(=O)COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C32H36N2O8/c1-6-34(19-22-9-7-8-10-25(22)37-2)16-15-33-29(36)20-41-23-13-11-21(12-14-23)26-17-24(35)30-27(42-26)18-28(38-3)31(39-4)32(30)40-5/h7-14,17-18H,6,15-16,19-20H2,1-5H3,(H,33,36)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.81E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Drug Targeting and Drug Delivery System of the Education Ministry, West China School of Pharmacy, Sichuan University, Chengdu, 610041, China; Coll

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method


Eur J Med Chem 135: 307-323 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.054
BindingDB Entry DOI: 10.7270/Q2H41TX2
More data for this
Ligand-Target Pair