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PubMed code 26869193

Compile data set for download or QSAR
Found 8 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))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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Article
PubMed
n/an/a 2n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 26: 1624-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.080
BindingDB Entry DOI: 10.7270/Q2W66NND
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 26: 1624-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.080
BindingDB Entry DOI: 10.7270/Q2W66NND
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50158402
PNG
(CHEMBL3781198)
Show SMILES CN(C)C(=O)Oc1c(C)n(ccc1=O)-c1ccccc1
Show InChI InChI=1S/C15H16N2O3/c1-11-14(20-15(19)16(2)3)13(18)9-10-17(11)12-7-5-4-6-8-12/h4-10H,1-3H3
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PubMed
n/an/a 4.88E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 5 mins followed by addition of acetylthiocholine iodide measured after 2 mins by Ellman's method


Bioorg Med Chem Lett 26: 1624-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.080
BindingDB Entry DOI: 10.7270/Q2W66NND
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50158534
PNG
(CHEMBL3781763)
Show SMILES CN(C)C(=O)Oc1ccc(COc2c(C)n(ccc2=O)-c2ccccc2)cc1
Show InChI InChI=1S/C22H22N2O4/c1-16-21(20(25)13-14-24(16)18-7-5-4-6-8-18)27-15-17-9-11-19(12-10-17)28-22(26)23(2)3/h4-14H,15H2,1-3H3
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n/an/a 2.17E+5n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 26: 1624-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.080
BindingDB Entry DOI: 10.7270/Q2W66NND
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50086229
PNG
(CHEMBL326815)
Show SMILES Cc1c(O)c(=O)ccn1-c1ccccc1
Show InChI InChI=1S/C12H11NO2/c1-9-12(15)11(14)7-8-13(9)10-5-3-2-4-6-10/h2-8,15H,1H3
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PubMed
n/an/a 2.20E+5n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 26: 1624-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.080
BindingDB Entry DOI: 10.7270/Q2W66NND
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50158537
PNG
(CHEMBL3781438)
Show SMILES CN(C)C(=O)Oc1ccc(cc1)-n1ccc(=O)c(OC(=O)N(C)C)c1C
Show InChI InChI=1S/C18H21N3O5/c1-12-16(26-18(24)20(4)5)15(22)10-11-21(12)13-6-8-14(9-7-13)25-17(23)19(2)3/h6-11H,1-5H3
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PubMed
n/an/a 2.52E+5n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 26: 1624-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.080
BindingDB Entry DOI: 10.7270/Q2W66NND
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50158538
PNG
(CHEMBL3780941)
Show SMILES CN(C)C(=O)Oc1ccc(cc1)-n1ccc(=O)c(O)c1C
Show InChI InChI=1S/C15H16N2O4/c1-10-14(19)13(18)8-9-17(10)11-4-6-12(7-5-11)21-15(20)16(2)3/h4-9,19H,1-3H3
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Article
PubMed
n/an/a 3.48E+5n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 26: 1624-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.080
BindingDB Entry DOI: 10.7270/Q2W66NND
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50158403
PNG
(P-TOLYL DIMETHYLCARBAMATE)
Show SMILES CN(C)C(=O)Oc1ccc(C)cc1
Show InChI InChI=1S/C10H13NO2/c1-8-4-6-9(7-5-8)13-10(12)11(2)3/h4-7H,1-3H3
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Article
PubMed
n/an/a 1.28E+6n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem Lett 26: 1624-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.080
BindingDB Entry DOI: 10.7270/Q2W66NND
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%