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PubMed code 24589487

Compile data set for download or QSAR
Found 7 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))		BDBM50449388
PNG
(CHEMBL3127003)
Show SMILES CCN(CCCCOc1ccc(cc1)-c1coc2cc(OCCCCN(CC)Cc3ccccc3OC)cc(O)c2c1=O)Cc1ccccc1OC
Show InChI InChI=1S/C43H52N2O7/c1-5-44(29-33-15-7-9-17-39(33)48-3)23-11-13-25-50-35-21-19-32(20-22-35)37-31-52-41-28-36(27-38(46)42(41)43(37)47)51-26-14-12-24-45(6-2)30-34-16-8-10-18-40(34)49-4/h7-10,15-22,27-28,31,46H,5-6,11-14,23-26,29-30H2,1-4H3
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 140n/an/an/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel AchE using acetylthiocholine as substrate after 15 mins by Lineweaver-Burk plot analysis

Eur J Med Chem 76: 314-31 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.045
BindingDB Entry DOI: 10.7270/Q20R9QXD
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=1S/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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n/an/a 120n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AchE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 76: 314-31 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.045
BindingDB Entry DOI: 10.7270/Q20R9QXD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50449388
PNG
(CHEMBL3127003)
Show SMILES CCN(CCCCOc1ccc(cc1)-c1coc2cc(OCCCCN(CC)Cc3ccccc3OC)cc(O)c2c1=O)Cc1ccccc1OC
Show InChI InChI=1S/C43H52N2O7/c1-5-44(29-33-15-7-9-17-39(33)48-3)23-11-13-25-50-35-21-19-32(20-22-35)37-31-52-41-28-36(27-38(46)42(41)43(37)47)51-26-14-12-24-45(6-2)30-34-16-8-10-18-40(34)49-4/h7-10,15-22,27-28,31,46H,5-6,11-14,23-26,29-30H2,1-4H3
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n/an/a 140n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AchE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 76: 314-31 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.045
BindingDB Entry DOI: 10.7270/Q20R9QXD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50449389
PNG
(CHEMBL3127001)
Show SMILES CCN(CCCOc1ccc(cc1)-c1coc2cc(OCCCN(CC)Cc3ccccc3OC)cc(O)c2c1=O)Cc1ccccc1OC
Show InChI InChI=1S/C41H48N2O7/c1-5-42(27-31-13-7-9-15-37(31)46-3)21-11-23-48-33-19-17-30(18-20-33)35-29-50-39-26-34(25-36(44)40(39)41(35)45)49-24-12-22-43(6-2)28-32-14-8-10-16-38(32)47-4/h7-10,13-20,25-26,29,44H,5-6,11-12,21-24,27-28H2,1-4H3
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n/an/a 160n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AchE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 76: 314-31 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.045
BindingDB Entry DOI: 10.7270/Q20R9QXD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50449387
PNG
(CHEMBL3127004)
Show SMILES CCN(CCCCCCOc1ccc(cc1)-c1coc2cc(OCCCCCCN(CC)Cc3ccccc3OC)cc(O)c2c1=O)Cc1ccccc1OC
Show InChI InChI=1S/C47H60N2O7/c1-5-48(33-37-19-11-13-21-43(37)52-3)27-15-7-9-17-29-54-39-25-23-36(24-26-39)41-35-56-45-32-40(31-42(50)46(45)47(41)51)55-30-18-10-8-16-28-49(6-2)34-38-20-12-14-22-44(38)53-4/h11-14,19-26,31-32,35,50H,5-10,15-18,27-30,33-34H2,1-4H3
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n/an/a 3.79E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AchE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 76: 314-31 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.045
BindingDB Entry DOI: 10.7270/Q20R9QXD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50449391
PNG
(CHEMBL3127006)
Show SMILES CCN(CCCCCCOc1cc(O)c2c(c1)occ(-c1ccc(O)cc1)c2=O)Cc1ccccc1
Show InChI InChI=1S/C30H33NO5/c1-2-31(20-22-10-6-5-7-11-22)16-8-3-4-9-17-35-25-18-27(33)29-28(19-25)36-21-26(30(29)34)23-12-14-24(32)15-13-23/h5-7,10-15,18-19,21,32-33H,2-4,8-9,16-17,20H2,1H3
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n/an/a 4.98E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AchE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 76: 314-31 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.045
BindingDB Entry DOI: 10.7270/Q20R9QXD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50449390
PNG
(CHEMBL3126996)
Show SMILES CCN(CCCCOc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O)Cc1ccccc1OC
Show InChI InChI=1S/C29H31NO6/c1-3-30(18-21-8-4-5-9-26(21)34-2)14-6-7-15-35-23-12-10-20(11-13-23)24-19-36-27-17-22(31)16-25(32)28(27)29(24)33/h4-5,8-13,16-17,19,31-32H,3,6-7,14-15,18H2,1-2H3
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n/an/a 1.59E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AchE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method

Eur J Med Chem 76: 314-31 (2014)


Article DOI: 10.1016/j.ejmech.2014.02.045
BindingDB Entry DOI: 10.7270/Q20R9QXD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%