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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50020534'   
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


(Homo sapiens (Human))
BDBM50020534
PNG
(1-(1-Ethyl-2,2-dimethyl-propoxymethyl)-2-(hydroxyi...)
Show SMILES CCC(OC[n+]1ccn(C)c1CN=O)C(C)(C)C
Show InChI InChI=1S/C13H24N3O2/c1-6-11(13(2,3)4)18-10-16-8-7-15(5)12(16)9-14-17/h7-8,11H,6,9-10H2,1-5H3/q+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC).


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair