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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 10 entry = 50003036   
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


(Electrophorus electricus (Electric eel))
BDBM50025242
PNG
(CHEMBL20339 | CHEMBL2079594 | N-Hydroxy-3-phenyl-[...)
Show SMILES CCN(CC)CCSC(N=O)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C15H20N4O2S/c1-3-19(4-2)10-11-22-15(17-20)14-16-13(18-21-14)12-8-6-5-7-9-12/h5-9,15H,3-4,10-11H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.50E+3n/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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50025244
PNG
(3-Phenyl-[1,2,4]oxadiazole-5-carbaldehyde oxime | ...)
Show SMILES O=NCc1nc(no1)-c1ccccc1
Show InChI InChI=1S/C9H7N3O2/c13-10-6-8-11-9(12-14-8)7-4-2-1-3-5-7/h1-5H,6H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+6n/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