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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50025241'   
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))
BDBM50025241
PNG
(3-Thiophen-2-yl-[1,2,4]oxadiazole-5-carbaldehyde o...)
Show SMILES O=NCc1nc(no1)-c1cccs1
Show InChI InChI=1S/C7H5N3O2S/c11-8-4-6-9-7(10-12-6)5-2-1-3-13-5/h1-3H,4H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>3.60E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reactivation of human acetylcholinesterase


J Med Chem 29: 2174-83 (1986)


BindingDB Entry DOI: 10.7270/Q2VQ31QK
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50025241
PNG
(3-Thiophen-2-yl-[1,2,4]oxadiazole-5-carbaldehyde o...)
Show SMILES O=NCc1nc(no1)-c1cccs1
Show InChI InChI=1S/C7H5N3O2S/c11-8-4-6-9-7(10-12-6)5-2-1-3-13-5/h1-3H,4H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro reversible inhibition of eel acetylcholinesterase.


J Med Chem 29: 2174-83 (1986)


BindingDB Entry DOI: 10.7270/Q2VQ31QK
More data for this
Ligand-Target Pair