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Compile Data Set for Download or QSAR

Found 578 hits of ki for UniProtKB: O42275   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50204090
PNG
(CHEMBL3958859)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(O)cc(Sc2ccccc2C(O)=O)c1O
Show InChI InChI=1S/C33H42O4S/c1-23(2)11-8-12-24(3)13-9-14-25(4)15-10-16-26(5)19-20-27-21-28(34)22-31(32(27)35)38-30-18-7-6-17-29(30)33(36)37/h6-7,11,13,15,17-19,21-22,34-35H,8-10,12,14,16,20H2,1-5H3,(H,36,37)/b24-13+,25-15+,26-19+
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0.000590n/an/an/an/an/an/an/an/a



Istituto di Chimica Biomolecolare (ICB)

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by Dixon plot analysis


Eur J Med Chem 122: 326-338 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.036
BindingDB Entry DOI: 10.7270/Q2QJ7K8X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50204086
PNG
(Avarol-3''-Thiosalicylate | CHEMBL238756)
Show SMILES C[C@H]1CC[C@@]2(C)[C@@H](CCC=C2C)[C@]1(C)Cc1cc(O)cc(Sc2ccccc2C(O)=O)c1O
Show InChI InChI=1/C28H34O4S/c1-17-8-7-11-24-27(17,3)13-12-18(2)28(24,4)16-19-14-20(29)15-23(25(19)30)33-22-10-6-5-9-21(22)26(31)32/h5-6,8-10,14-15,18,24,29-30H,7,11-13,16H2,1-4H3,(H,31,32)/t18-,24+,27+,28+/s2
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0.0585n/an/an/an/an/an/an/an/a



Istituto di Chimica Biomolecolare (ICB)

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by Dixon plot analysis


Eur J Med Chem 122: 326-338 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.036
BindingDB Entry DOI: 10.7270/Q2QJ7K8X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50204087
PNG
(CHEMBL3920392)
Show SMILES CC(C)=CCc1cc(O)cc(Sc2ccccc2C(O)=O)c1O
Show InChI InChI=1S/C18H18O4S/c1-11(2)7-8-12-9-13(19)10-16(17(12)20)23-15-6-4-3-5-14(15)18(21)22/h3-7,9-10,19-20H,8H2,1-2H3,(H,21,22)
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0.221n/an/an/an/an/an/an/an/a



Istituto di Chimica Biomolecolare (ICB)

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate by Dixon plot analysis


Eur J Med Chem 122: 326-338 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.036
BindingDB Entry DOI: 10.7270/Q2QJ7K8X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50293451
PNG
(1-Methyl-1-[2-(7-oxo-7H-1-aza-benzo[de]anthracen-9...)
Show SMILES C[N+]1(CCC(=O)Nc2ccc-3c(c2)C(=O)c2cccc4ccnc-3c24)CCCCC1
Show InChI InChI=1S/C25H25N3O2/c1-28(13-3-2-4-14-28)15-11-22(29)27-18-8-9-19-21(16-18)25(30)20-7-5-6-17-10-12-26-24(19)23(17)20/h5-10,12,16H,2-4,11,13-15H2,1H3/p+1
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0.310n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by LB plot


Eur J Med Chem 44: 2523-32 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.021
BindingDB Entry DOI: 10.7270/Q2Z89CFV
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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0.800n/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm00228a600
BindingDB Entry DOI: 10.7270/Q2N58NX7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50481599
PNG
(CHEMBL591680 | Methyl 4-Azidobutylphosphonofluorid...)
Show SMILES COP(F)(=O)CCCCN=[N+]=[N-]
Show InChI InChI=1S/C5H11FN3O2P/c1-11-12(6,10)5-3-2-4-8-9-7/h2-5H2,1H3
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0.960n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50481589
PNG
(CHEMBL611463)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCc3cn(CCCP(F)(=O)OC)nn3)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C34H42FN6O8PS2/c1-6-39(7-2)25-11-14-28-31(19-25)49-32-20-26(40(8-3)9-4)12-15-29(32)34(28)30-16-13-27(21-33(30)52(45,46)47)51(43,44)36-22-24-23-41(38-37-24)17-10-18-50(35,42)48-5/h11-16,19-21,23,36H,6-10,17-18,22H2,1-5H3
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1n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50481597
PNG
(CHEMBL611462)
Show SMILES COP(F)(=O)CCCCn1cc(CNS(=O)(=O)c2ccc(C3=c4cc5CCC[N+]6=c5c(CCC6)c4Oc4c5CCCN6CCCc(cc34)c56)c(c2)S([O-])(=O)=O)nn1
Show InChI InChI=1S/C39H44FN6O8PS2/c1-53-55(40,47)19-3-2-18-46-24-27(42-43-46)23-41-56(48,49)28-12-13-29(34(22-28)57(50,51)52)35-32-20-25-8-4-14-44-16-6-10-30(36(25)44)38(32)54-39-31-11-7-17-45-15-5-9-26(37(31)45)21-33(35)39/h12-13,20-22,24,41H,2-11,14-19,23H2,1H3
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1n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50481588
PNG
(CHEMBL611461)
Show SMILES COP(F)(=O)CCCn1cc(CNS(=O)(=O)c2ccc(C3=c4cc5CCC[N+]6=c5c(CCC6)c4Oc4c5CCCN6CCCc(cc34)c56)c(c2)S([O-])(=O)=O)nn1
Show InChI InChI=1S/C38H42FN6O8PS2/c1-52-54(39,46)18-6-17-45-23-26(41-42-45)22-40-55(47,48)27-11-12-28(33(21-27)56(49,50)51)34-31-19-24-7-2-13-43-15-4-9-29(35(24)43)37(31)53-38-30-10-5-16-44-14-3-8-25(36(30)44)20-32(34)38/h11-12,19-21,23,40H,2-10,13-18,22H2,1H3
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1n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50016809
PNG
(CHEMBL3275133)
Show SMILES Cc1c(CCOP(O)(=O)OP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N
Show InChI InChI=1/C12H19N4O10P3S.ClH/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19;/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23);1H
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1n/an/an/an/an/an/a8.25n/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 8.25 by Michaelis-Menten plot analysis


J Med Chem 20: 161-4 (1977)


Article DOI: 10.1021/jm00211a035
BindingDB Entry DOI: 10.7270/Q2JD4ZB9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50481598
PNG
(CHEMBL611464)
Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCc3cn(CCCCP(F)(=O)OC)nn3)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChI InChI=1S/C35H44FN6O8PS2/c1-6-40(7-2)26-12-15-29-32(20-26)50-33-21-27(41(8-3)9-4)13-16-30(33)35(29)31-17-14-28(22-34(31)53(46,47)48)52(44,45)37-23-25-24-42(39-38-25)18-10-11-19-51(36,43)49-5/h12-17,20-22,24,37H,6-11,18-19,23H2,1-5H3
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1n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)

More data for this
Ligand-Target Pair
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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1.10n/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm00228a600
BindingDB Entry DOI: 10.7270/Q2N58NX7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50490825
PNG
(CHEMBL2348368)
Show SMILES Cc1ccc(cc1)S(=O)(=O)OCCOP(C)(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H18NO8PS/c1-13-3-9-16(10-4-13)27(21,22)24-12-11-23-26(2,20)25-15-7-5-14(6-8-15)17(18)19/h3-10H,11-12H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by time-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50481601
PNG
(CHEMBL599696)
Show SMILES COP(F)(=O)CCCCn1cc(CNS(=O)(=O)c2ccc(cc2)\N=N\c2ccc(cc2)N(C)C)nn1
Show InChI InChI=1S/C22H29FN7O4PS/c1-29(2)21-10-6-18(7-11-21)25-26-19-8-12-22(13-9-19)36(32,33)24-16-20-17-30(28-27-20)14-4-5-15-35(23,31)34-3/h6-13,17,24H,4-5,14-16H2,1-3H3/b26-25+
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1.10n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM92961
PNG
(ThMP)
Show SMILES Cc1c(CCOP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N
Show InChI InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p+1
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1.10n/an/an/an/an/an/a8.25n/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 8.25 by Michaelis-Menten plot analysis


J Med Chem 20: 161-4 (1977)


Article DOI: 10.1021/jm00211a035
BindingDB Entry DOI: 10.7270/Q2JD4ZB9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50052204
PNG
(CHEMBL3318392)
Show SMILES Clc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H15ClN2O.ClH/c22-19-7-3-1-5-16(19)14-24-11-9-15(10-12-24)13-18-17-6-2-4-8-20(17)23-21(18)25;/h1-13H,14H2;1H
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1.10n/an/an/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Mixed type inhibition of electric eel AChE using acetylthiocholine iodide substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50490824
PNG
(CHEMBL2348369)
Show SMILES CP(=S)(OCCBr)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C9H11BrNO4PS/c1-16(17,14-7-6-10)15-9-4-2-8(3-5-9)11(12)13/h2-5H,6-7H2,1H3
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1.20n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by time-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM26190
PNG
(1,4-Dihydroxybenzene, XIII | 1,4-dihydroxybenzene ...)
Show SMILES Oc1ccc(O)cc1
Show InChI InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
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1.20n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


Article DOI: 10.1016/j.bmc.2016.04.002
BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50456708
PNG
(CHEMBL4204315)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CC[Se][Se]CCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C36H46N4Se2/c1(11-23-37-35-27-15-3-7-19-31(27)39-32-20-8-4-16-28(32)35)13-25-41-42-26-14-2-12-24-38-36-29-17-5-9-21-33(29)40-34-22-10-6-18-30(34)36/h3,5,7,9,15,17,19,21H,1-2,4,6,8,10-14,16,18,20,22-26H2,(H,37,39)(H,38,40)
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1.20n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Non-competitive inhibition of electric eel AChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver...


Eur J Med Chem 138: 761-773 (2017)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50456708
PNG
(CHEMBL4204315)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CC[Se][Se]CCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C36H46N4Se2/c1(11-23-37-35-27-15-3-7-19-31(27)39-32-20-8-4-16-28(32)35)13-25-41-42-26-14-2-12-24-38-36-29-17-5-9-21-33(29)40-34-22-10-6-18-30(34)36/h3,5,7,9,15,17,19,21H,1-2,4,6,8,10-14,16,18,20,22-26H2,(H,37,39)(H,38,40)
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1.20n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Non-competitive inhibition of electric eel AChE assessed as enzyme-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver-Burk plot...


Eur J Med Chem 138: 761-773 (2017)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50481600
PNG
(CHEMBL596625)
Show SMILES COP(F)(=O)CCCn1cc(CNS(=O)(=O)c2cccc3c(cccc23)N(C)C)nn1
Show InChI InChI=1S/C19H25FN5O4PS/c1-24(2)18-9-4-8-17-16(18)7-5-10-19(17)31(27,28)21-13-15-14-25(23-22-15)11-6-12-30(20,26)29-3/h4-5,7-10,14,21H,6,11-13H2,1-3H3
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1.30n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM92962
PNG
(ThDP)
Show SMILES Cc1c(CCOP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N
Show InChI InChI=1/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1
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1.40n/an/an/an/an/an/a8.25n/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 8.25 by Michaelis-Menten plot analysis


J Med Chem 20: 161-4 (1977)


Article DOI: 10.1021/jm00211a035
BindingDB Entry DOI: 10.7270/Q2JD4ZB9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM92962
PNG
(ThDP)
Show SMILES Cc1c(CCOP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N
Show InChI InChI=1/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1
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1.5n/an/an/an/an/an/a7.0n/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 7 by Michaelis-Menten plot analysis


J Med Chem 20: 161-4 (1977)


Article DOI: 10.1021/jm00211a035
BindingDB Entry DOI: 10.7270/Q2JD4ZB9
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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1.5n/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm00228a600
BindingDB Entry DOI: 10.7270/Q2N58NX7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50124895
PNG
(CHEMBL3623568)
Show SMILES CC(=O)C(F)(F)CCC(C)(C)C
Show InChI InChI=1S/C9H16F2O/c1-7(12)9(10,11)6-5-8(2,3)4/h5-6H2,1-4H3
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1.60n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem Lett 25: 4405-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.019
BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50481595
PNG
(CHEMBL597694)
Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)NCc1cn(CCCP(F)(=O)OC)nn1
Show InChI InChI=1S/C18H20FN4O6P/c1-27-14-4-5-16-12(8-14)9-15(18(25)29-16)17(24)20-10-13-11-23(22-21-13)6-3-7-30(19,26)28-2/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,20,24)
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1.80n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50481593
PNG
(CHEMBL597280)
Show SMILES COP(F)(=O)CCCn1cc(CNS(=O)(=O)c2ccc3ccc4cccc5ccc2c3c45)nn1
Show InChI InChI=1S/C23H22FN4O4PS/c1-32-33(24,29)13-3-12-28-15-19(26-27-28)14-25-34(30,31)21-11-9-18-7-6-16-4-2-5-17-8-10-20(21)23(18)22(16)17/h2,4-11,15,25H,3,12-14H2,1H3
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1.80n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50016812
PNG
(CHEMBL3275136)
Show SMILES [I-].Cc1c(CCO)sc[n+]1C
Show InChI InChI=1S/C7H12NOS.HI/c1-6-7(3-4-9)10-5-8(6)2;/h5,9H,3-4H2,1-2H3;1H/q+1;/p-1
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1.90n/an/an/an/an/an/a8.25n/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 8.25 by Michaelis-Menten plot analysis


J Med Chem 20: 161-4 (1977)


Article DOI: 10.1021/jm00211a035
BindingDB Entry DOI: 10.7270/Q2JD4ZB9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50240416
PNG
(CHEMBL23838 | O,O-diethyl O-p-nitrophenyl phosphat...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
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2n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by concentration-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50016848
PNG
(CHEMBL3276408)
Show SMILES C(CCC[n+]1c2ccccc2cc2ccccc12)CC[n+]1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C32H30N2.2HI/c1(11-21-33-29-17-7-3-13-25(29)23-26-14-4-8-18-30(26)33)2-12-22-34-31-19-9-5-15-27(31)24-28-16-6-10-20-32(28)34;;/h3-10,13-20,23-24H,1-2,11-12,21-22H2;2*1H/q+2;;/p-2
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2.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor comp...


J Med Chem 20: 1617-23 (1978)


Article DOI: 10.1021/jm00222a016
BindingDB Entry DOI: 10.7270/Q29025BQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50016848
PNG
(CHEMBL3276408)
Show SMILES C(CCC[n+]1c2ccccc2cc2ccccc12)CC[n+]1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C32H30N2.2HI/c1(11-21-33-29-17-7-3-13-25(29)23-26-14-4-8-18-30(26)33)2-12-22-34-31-19-9-5-15-27(31)24-28-16-6-10-20-32(28)34;;/h3-10,13-20,23-24H,1-2,11-12,21-22H2;2*1H/q+2;;/p-2
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2.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate by Lineweaver-Burk plot analysis


J Med Chem 20: 1617-23 (1978)


Article DOI: 10.1021/jm00222a016
BindingDB Entry DOI: 10.7270/Q29025BQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50490822
PNG
(2-Fluoroethyl 4-Nitrophenyl Methylphosphonate | CH...)
Show SMILES CP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C9H11FNO5P/c1-17(14,15-7-6-10)16-9-4-2-8(3-5-9)11(12)13/h2-5H,6-7H2,1H3
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2.5n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by time-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50481602
PNG
(CHEMBL596881)
Show SMILES CCN(CC)c1ccc2oc(=O)c(cc2c1)C(=O)NCc1cn(CCCP(F)(=O)OC)nn1
Show InChI InChI=1S/C21H27FN5O5P/c1-4-26(5-2)17-7-8-19-15(11-17)12-18(21(29)32-19)20(28)23-13-16-14-27(25-24-16)9-6-10-33(22,30)31-3/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,23,28)
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2.5n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)

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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2.60n/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm00228a600
BindingDB Entry DOI: 10.7270/Q2N58NX7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50481596
PNG
(CHEMBL597496)
Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)NCc1cn(CCCCP(F)(=O)OC)nn1
Show InChI InChI=1S/C19H22FN4O6P/c1-28-15-5-6-17-13(9-15)10-16(19(26)30-17)18(25)21-11-14-12-24(23-22-14)7-3-4-8-31(20,27)29-2/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,21,25)
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2.70n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50481592
PNG
(CHEMBL599492)
Show SMILES COP(F)(=O)CCCn1cc(CNS(=O)(=O)c2ccc(cc2)\N=N\c2ccc(cc2)N(C)C)nn1
Show InChI InChI=1S/C21H27FN7O4PS/c1-28(2)20-9-5-17(6-10-20)24-25-18-7-11-21(12-8-18)35(31,32)23-15-19-16-29(27-26-19)13-4-14-34(22,30)33-3/h5-12,16,23H,4,13-15H2,1-3H3/b25-24+
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3n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50240416
PNG
(CHEMBL23838 | O,O-diethyl O-p-nitrophenyl phosphat...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
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3n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50456711
PNG
(CHEMBL4208641)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCSSCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C36H46N4S2/c1(11-23-37-35-27-15-3-7-19-31(27)39-32-20-8-4-16-28(32)35)13-25-41-42-26-14-2-12-24-38-36-29-17-5-9-21-33(29)40-34-22-10-6-18-30(34)36/h3,5,7,9,15,17,19,21H,1-2,4,6,8,10-14,16,18,20,22-26H2,(H,37,39)(H,38,40)
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3.10n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel AChE assessed as enzyme-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver-Burk plot anal...


Eur J Med Chem 138: 761-773 (2017)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM13543
PNG
(3,4,5-Trimethoxy-N-(8-oxo-8-(2-(1,2,3,4-tetrahydro...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H40N4O5/c1-38-26-19-21(20-27(39-2)30(26)40-3)31(37)32-18-12-6-4-5-7-17-28(36)34-35-29-22-13-8-10-15-24(22)33-25-16-11-9-14-23(25)29/h8,10,13,15,19-20H,4-7,9,11-12,14,16-18H2,1-3H3,(H,32,37)(H,33,35)(H,34,36)
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3.23n/a 3.25n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universitat Bonn



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changed at 412 nm and was monitored with spectr...


J Med Chem 49: 7540-4 (2006)


Article DOI: 10.1021/jm060742o
BindingDB Entry DOI: 10.7270/Q21Z42NF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50481594
PNG
(CHEMBL596882)
Show SMILES CCN(CC)c1ccc2oc(=O)c(cc2c1)C(=O)NCc1cn(CCCCP(F)(=O)OC)nn1
Show InChI InChI=1S/C22H29FN5O5P/c1-4-27(5-2)18-8-9-20-16(12-18)13-19(22(30)33-20)21(29)24-14-17-15-28(26-25-17)10-6-7-11-34(23,31)32-3/h8-9,12-13,15H,4-7,10-11,14H2,1-3H3,(H,24,29)
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3.30n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel recombinant AChE


Bioorg Med Chem Lett 20: 1194-7 (2010)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50456702
PNG
(CHEMBL4213042)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CC[Se]CCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C36H46N4Se/c1(11-23-37-35-27-15-3-7-19-31(27)39-32-20-8-4-16-28(32)35)13-25-41-26-14-2-12-24-38-36-29-17-5-9-21-33(29)40-34-22-10-6-18-30(34)36/h3,5,7,9,15,17,19,21H,1-2,4,6,8,10-14,16,18,20,22-26H2,(H,37,39)(H,38,40)
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3.5n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Non-competitive inhibition of electric eel AChE assessed as enzyme-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver-Burk plot...


Eur J Med Chem 138: 761-773 (2017)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50456702
PNG
(CHEMBL4213042)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CC[Se]CCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C36H46N4Se/c1(11-23-37-35-27-15-3-7-19-31(27)39-32-20-8-4-16-28(32)35)13-25-41-26-14-2-12-24-38-36-29-17-5-9-21-33(29)40-34-22-10-6-18-30(34)36/h3,5,7,9,15,17,19,21H,1-2,4,6,8,10-14,16,18,20,22-26H2,(H,37,39)(H,38,40)
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3.5n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Non-competitive inhibition of electric eel AChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver...


Eur J Med Chem 138: 761-773 (2017)

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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4.10n/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm00228a600
BindingDB Entry DOI: 10.7270/Q2N58NX7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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4.20n/an/an/an/an/an/an/an/a



Tehran University of Medicinal Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE pre-incubated for 3 mins before acetylthiocholine substrate addition by Lineweaver-Burk plot


Eur J Med Chem 97: 181-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.055
BindingDB Entry DOI: 10.7270/Q2P84DM4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50070473
PNG
((1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,4-difluoro-p...)
Show SMILES Fc1ccc(c(F)c1)-c1c2ccc(n2)c(-c2ccc(F)cc2F)c2ccc([nH]2)c(-c2ccc(F)cc2F)c2ccc([nH]2)c(-c2ccc(F)cc2F)c2ccc1n2
Show InChI InChI=1S/C44H22F8N4/c45-21-1-5-25(29(49)17-21)41-33-9-11-35(53-33)42(26-6-2-22(46)18-30(26)50)37-13-15-39(55-37)44(28-8-4-24(48)20-32(28)52)40-16-14-38(56-40)43(36-12-10-34(41)54-36)27-7-3-23(47)19-31(27)51/h1-20,53-54H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
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5n/an/an/an/an/an/an/an/a



Taejon National University of Technology

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory constant for the electric eel Acetylcholinesterase (AChE)


Bioorg Med Chem Lett 8: 1467-70 (1999)


Article DOI: 10.1016/s0960-894x(98)00236-4
BindingDB Entry DOI: 10.7270/Q21835ND
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50070476
PNG
((1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,6-difluoro-p...)
Show SMILES Fc1cccc(F)c1-c1c2ccc(n2)c(-c2c(F)cccc2F)c2ccc([nH]2)c(-c2c(F)cccc2F)c2ccc([nH]2)c(-c2c(F)cccc2F)c2ccc1n2
Show InChI InChI=1S/C44H22F8N4/c45-21-5-1-6-22(46)37(21)41-29-13-15-31(53-29)42(38-23(47)7-2-8-24(38)48)33-17-19-35(55-33)44(40-27(51)11-4-12-28(40)52)36-20-18-34(56-36)43(32-16-14-30(41)54-32)39-25(49)9-3-10-26(39)50/h1-20,53-54H/b41-29+,41-30+,42-31+,42-33+,43-32+,43-34+,44-35+,44-36+
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5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition constant (Ki) against electric eel Acetylcholinesterase as Km/Vmax versus inhibitor concentration replot


Bioorg Med Chem Lett 10: 1435-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00254-7
BindingDB Entry DOI: 10.7270/Q20K27SF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50340109
PNG
(CHEMBL1762827 | rac-4-[(13-Amino-10,11,12,14-tetra...)
Show SMILES Nc1c2CCCCc2nc2Oc3ccc4ccccc4c3C(c3ccc(O)cc3)c12
Show InChI InChI=1/C26H22N2O2/c27-25-19-7-3-4-8-20(19)28-26-24(25)22(16-9-12-17(29)13-10-16)23-18-6-2-1-5-15(18)11-14-21(23)30-26/h1-2,5-6,9-14,22,29H,3-4,7-8H2,(H2,27,28)
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5n/an/an/an/an/an/an/an/a



Universit£ de Sfax

Curated by ChEMBL


Assay Description
Mixed inhibition of Electrophorus electricus acetylcholinesterase using acetylcholine as substrate by Ellman's method


Bioorg Med Chem Lett 21: 2384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.094
BindingDB Entry DOI: 10.7270/Q2D79BQQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50016814
PNG
(CHEMBL3275138)
Show SMILES CCc1scnc1C
Show InChI InChI=1S/C6H9NS/c1-3-6-5(2)7-4-8-6/h4H,3H2,1-2H3
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5.10n/an/an/an/an/an/a8.25n/a



TBA

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of electric eel AChE using acetylthiocholine chloride as substrate at pH 8.25 by Michaelis-Menten plot analysis


J Med Chem 20: 161-4 (1977)


Article DOI: 10.1021/jm00211a035
BindingDB Entry DOI: 10.7270/Q2JD4ZB9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50490821
PNG
(2-Fluoroethyl 4-Nitrophenyl Ethylphosphonate | CHE...)
Show SMILES CCP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H13FNO5P/c1-2-18(15,16-8-7-11)17-10-5-3-9(4-6-10)12(13)14/h3-6H,2,7-8H2,1H3
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5.5n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by concentration-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50456711
PNG
(CHEMBL4208641)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCSSCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C36H46N4S2/c1(11-23-37-35-27-15-3-7-19-31(27)39-32-20-8-4-16-28(32)35)13-25-41-42-26-14-2-12-24-38-36-29-17-5-9-21-33(29)40-34-22-10-6-18-30(34)36/h3,5,7,9,15,17,19,21H,1-2,4,6,8,10-14,16,18,20,22-26H2,(H,37,39)(H,38,40)
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5.70n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel AChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver-Burk...


Eur J Med Chem 138: 761-773 (2017)

More data for this
Ligand-Target Pair
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