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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50005493'   
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))
BDBM50005493
PNG
(CHEMBL12858 | N-((5-Ethylsulfanylmethyl-furan-2-yl...)
Show SMILES [#6]-[#7](-[#6])-[#6]-c1ccc(-[#6]-[#16]-[#6]-[#6]-[#7]\[#6](-[#7]-[#6]-[#6]-[#16]-[#6]-c2ccc(-[#6]-[#7](-[#6])-[#6])o2)=[#7]/C#N)o1
Show InChI InChI=1S/C22H34N6O2S2/c1-27(2)13-18-5-7-20(29-18)15-31-11-9-24-22(26-17-23)25-10-12-32-16-21-8-6-19(30-21)14-28(3)4/h5-8H,9-16H2,1-4H3,(H2,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 290n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase-I


J Med Chem 35: 1102-8 (1992)


BindingDB Entry DOI: 10.7270/Q28K79QR
More data for this
Ligand-Target Pair