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PubMed code 950651

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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))
BDBM50016936
PNG
(CHEMBL3277093)
Show SMILES CS([O-])(=O)=O.CC[N+](C)(CC)CCSP1(=O)OCCCO1
Show InChI InChI=1S/C10H23NO3PS.CH4O3S/c1-4-11(3,5-2)7-10-16-15(12)13-8-6-9-14-15;1-5(2,3)4/h4-10H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
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PubMed
n/an/an/an/an/an/a 18.3n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE assessed as decrease in thiophenol formation using acetylthiocholine as substrate by Ellman's method


J Med Chem 19: 810-3 (1976)


BindingDB Entry DOI: 10.7270/Q2N58NX7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50016939
PNG
(CHEMBL3277096)
Show SMILES CCOP(=O)(OCC)SCCN(C)C
Show InChI InChI=1S/C8H20NO3PS/c1-5-11-13(10,12-6-2)14-8-7-9(3)4/h5-8H2,1-4H3
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PubMed
n/an/an/an/an/an/a 2.50E+4n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE assessed as decrease in thiophenol formation using acetylthiocholine as substrate by Ellman's method


J Med Chem 19: 810-3 (1976)


BindingDB Entry DOI: 10.7270/Q2N58NX7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50016940
PNG
(CHEBI:59849 | ECHOTHIOPHATE IODIDE | Ecostigmine I...)
Show SMILES [I-].CCOP(=O)(OCC)SCC[N+](C)(C)C
Show InChI InChI=1S/C9H23NO3PS.HI/c1-6-12-14(11,13-7-2)15-9-8-10(3,4)5;/h6-9H2,1-5H3;1H/q+1;/p-1
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PubMed
n/an/an/an/an/an/a 4.33E+4n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE assessed as decrease in thiophenol formation using acetylthiocholine as substrate by Ellman's method


J Med Chem 19: 810-3 (1976)


BindingDB Entry DOI: 10.7270/Q2N58NX7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50016938
PNG
(CHEMBL3277095)
Show SMILES CS([O-])(=O)=O.C[N+](C)(C)CCSP1(=O)OCCCO1
Show InChI InChI=1S/C8H19NO3PS.CH4O3S/c1-9(2,3)5-8-14-13(10)11-6-4-7-12-13;1-5(2,3)4/h4-8H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
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PubMed
n/an/an/an/an/an/a 13.3n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE assessed as decrease in thiophenol formation using acetylthiocholine as substrate by Ellman's method


J Med Chem 19: 810-3 (1976)


BindingDB Entry DOI: 10.7270/Q2N58NX7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50016937
PNG
(CHEMBL3277094)
Show SMILES CC(C)N(CCSP1(=O)OCCCO1)C(C)C
Show InChI InChI=1S/C11H24NO3PS/c1-10(2)12(11(3)4)6-9-17-16(13)14-7-5-8-15-16/h10-11H,5-9H2,1-4H3
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PubMed
n/an/an/an/an/an/a 0.430n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE assessed as decrease in thiophenol formation using acetylthiocholine as substrate by Ellman's method


J Med Chem 19: 810-3 (1976)


BindingDB Entry DOI: 10.7270/Q2N58NX7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50016935
PNG
(CHEMBL3277092)
Show SMILES CCN(CC)CCSP1(=O)OCCCO1
Show InChI InChI=1S/C9H20NO3PS/c1-3-10(4-2)6-9-15-14(11)12-7-5-8-13-14/h3-9H2,1-2H3
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PubMed
n/an/an/an/an/an/a 68.3n/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE assessed as decrease in thiophenol formation using acetylthiocholine as substrate by Ellman's method


J Med Chem 19: 810-3 (1976)


BindingDB Entry DOI: 10.7270/Q2N58NX7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%