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Compile Data Set for Download or QSAR

Found 232 hits with Last Name = 'maya' and Initial = 'i'   
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
Cholinesterase


(Equus caballus (Horse))		BDBM50515454
PNG
(CHEMBL4550977)
Show SMILES C(Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H34N2O2/c1-3-11-27(12-4-1)24-38-33-20-19-26(23-34(33)39-25-28-13-5-2-6-14-28)21-22-36-35-29-15-7-9-17-31(29)37-32-18-10-8-16-30(32)35/h1-7,9,11-15,17,19-20,23H,8,10,16,18,21-22,24-25H2,(H,36,37)
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 1.10n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50515472
PNG
(CHEMBL4469822)
Show SMILES C(Cc1ccc(OCc2ccccc2)cc1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H28N2O/c1-2-8-22(9-3-1)20-31-23-16-14-21(15-17-23)18-19-29-28-24-10-4-6-12-26(24)30-27-13-7-5-11-25(27)28/h1-4,6,8-10,12,14-17H,5,7,11,13,18-20H2,(H,29,30)
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 1.10n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456708
PNG
(CHEMBL4204315)
Show SMILES [#6](-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12)-[#6]-[#6][Se;v2][Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12
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)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456708
PNG
(CHEMBL4204315)
Show SMILES [#6](-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12)-[#6]-[#6][Se;v2][Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12
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)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50515453
PNG
(CHEMBL4588525)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCOCCc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C33H38N2O2/c1-3-11-27(12-4-1)25-37-28-19-17-26(18-20-28)21-24-36-23-10-2-9-22-34-33-29-13-5-7-15-31(29)35-32-16-8-6-14-30(32)33/h1,3-5,7,11-13,15,17-20H,2,6,8-10,14,16,21-25H2,(H,34,35)
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 1.5n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50515473
PNG
(CHEMBL4572757)
Show SMILES Oc1ccc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc1O
Show InChI InChI=1S/C26H33N3O2/c30-24-14-13-19(17-25(24)31)18-27-15-7-1-2-8-16-28-26-20-9-3-5-11-22(20)29-23-12-6-4-10-21(23)26/h3,5,9,11,13-14,17,27,30-31H,1-2,4,6-8,10,12,15-16,18H2,(H,28,29)
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 1.70n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50515465
PNG
(CHEMBL4536715)
Show SMILES Oc1ccc(\C=N\c2c3CCCCc3nc3ccccc23)cc1O
Show InChI InChI=1S/C20H18N2O2/c23-18-10-9-13(11-19(18)24)12-21-20-14-5-1-3-7-16(14)22-17-8-4-2-6-15(17)20/h1,3,5,7,9-12,23-24H,2,4,6,8H2/b21-12+
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 1.90n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50515453
PNG
(CHEMBL4588525)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCOCCc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C33H38N2O2/c1-3-11-27(12-4-1)25-37-28-19-17-26(18-20-28)21-24-36-23-10-2-9-22-34-33-29-13-5-7-15-31(29)35-32-16-8-6-14-30(32)33/h1,3-5,7,11-13,15,17-20H,2,6,8-10,14,16,21-25H2,(H,34,35)
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 1.90n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50515470
PNG
(CHEMBL4555120)
Show SMILES COc1ccc(CCOCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C28H36N2O3/c1-31-26-15-14-21(20-27(26)32-2)16-19-33-18-9-3-8-17-29-28-22-10-4-6-12-24(22)30-25-13-7-5-11-23(25)28/h4,6,10,12,14-15,20H,3,5,7-9,11,13,16-19H2,1-2H3,(H,29,30)
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 1.90n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50515459
PNG
(CHEMBL4545701)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCOCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
Show InChI InChI=1S/C40H44N2O3/c1-4-14-32(15-5-1)29-44-38-23-22-31(28-39(38)45-30-33-16-6-2-7-17-33)24-27-43-26-13-3-12-25-41-40-34-18-8-10-20-36(34)42-37-21-11-9-19-35(37)40/h1-2,4-8,10,14-18,20,22-23,28H,3,9,11-13,19,21,24-27,29-30H2,(H,41,42)
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 2.70n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50515460
PNG
(CHEMBL4475228)
Show SMILES COc1ccc(CCOCCCCCNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C27H34N2O2/c1-30-22-15-13-21(14-16-22)17-20-31-19-8-2-7-18-28-27-23-9-3-5-11-25(23)29-26-12-6-4-10-24(26)27/h3,5,9,11,13-16H,2,4,6-8,10,12,17-20H2,1H3,(H,28,29)
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 2.90n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
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)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50515461
PNG
(CHEMBL4535585)
Show SMILES Oc1ccc(CNc2c3CCCCc3nc3ccccc23)cc1O
Show InChI InChI=1S/C20H20N2O2/c23-18-10-9-13(11-19(18)24)12-21-20-14-5-1-3-7-16(14)22-17-8-4-2-6-15(17)20/h1,3,5,7,9-11,23-24H,2,4,6,8,12H2,(H,21,22)
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 3.20n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50515468
PNG
(CHEMBL4483710)
Show SMILES Oc1ccc(CNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C20H20N2O/c23-15-11-9-14(10-12-15)13-21-20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1,3,5,7,9-12,23H,2,4,6,8,13H2,(H,21,22)
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 3.20n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456702
PNG
(CHEMBL4213042)
Show SMILES [#6](-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12)-[#6]-[#6][Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12
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)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456702
PNG
(CHEMBL4213042)
Show SMILES [#6](-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12)-[#6]-[#6][Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12
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)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50515471
PNG
(CHEMBL4531167)
Show SMILES Oc1ccc(CCOCCCCCNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C26H32N2O2/c29-21-14-12-20(13-15-21)16-19-30-18-7-1-6-17-27-26-22-8-2-4-10-24(22)28-25-11-5-3-9-23(25)26/h2,4,8,10,12-15,29H,1,3,5-7,9,11,16-19H2,(H,27,28)
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 4.5n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50515459
PNG
(CHEMBL4545701)
Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCOCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
Show InChI InChI=1S/C40H44N2O3/c1-4-14-32(15-5-1)29-44-38-23-22-31(28-39(38)45-30-33-16-6-2-7-17-33)24-27-43-26-13-3-12-25-41-40-34-18-8-10-20-36(34)42-37-21-11-9-19-35(37)40/h1-2,4-8,10,14-18,20,22-23,28H,3,9,11-13,19,21,24-27,29-30H2,(H,41,42)
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 4.60n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
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)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50515469
PNG
(CHEMBL4521755)
Show SMILES Oc1cc(\C=N\c2c3CCCCc3nc3ccccc23)cc(O)c1O
Show InChI InChI=1S/C20H18N2O3/c23-17-9-12(10-18(24)20(17)25)11-21-19-13-5-1-3-7-15(13)22-16-8-4-2-6-14(16)19/h1,3,5,7,9-11,23-25H,2,4,6,8H2/b21-11+
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 5.80n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM199186
PNG
(N-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydroacridin-...)
Show SMILES COc1ccc(CNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C22H24N2O2/c1-25-20-12-11-15(13-21(20)26-2)14-23-22-16-7-3-5-9-18(16)24-19-10-6-4-8-17(19)22/h3,5,7,9,11-13H,4,6,8,10,14H2,1-2H3,(H,23,24)
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 6.40n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456713
PNG
(CHEMBL4214235)
Show SMILES N#C[Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12
Show InChI InChI=1S/C20H25N3Se/c21-15-24-14-8-2-1-7-13-22-20-16-9-3-5-11-18(16)23-19-12-6-4-10-17(19)20/h3,5,9,11H,1-2,4,6-8,10,12-14H2,(H,22,23)
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 6.5n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50515470
PNG
(CHEMBL4555120)
Show SMILES COc1ccc(CCOCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C28H36N2O3/c1-31-26-15-14-21(20-27(26)32-2)16-19-33-18-9-3-8-17-29-28-22-10-4-6-12-24(22)30-25-13-7-5-11-23(25)28/h4,6,10,12,14-15,20H,3,5,7-9,11,13,16-19H2,1-2H3,(H,29,30)
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 7n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456712
PNG
(CHEMBL4204015)
Show SMILES N#C[Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12
Show InChI InChI=1S/C26H37N3Se/c27-21-30-20-14-8-6-4-2-1-3-5-7-13-19-28-26-22-15-9-11-17-24(22)29-25-18-12-10-16-23(25)26/h9,11,15,17H,1-8,10,12-14,16,18-20H2,(H,28,29)
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 7.10n/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)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456712
PNG
(CHEMBL4204015)
Show SMILES N#C[Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12
Show InChI InChI=1S/C26H37N3Se/c27-21-30-20-14-8-6-4-2-1-3-5-7-13-19-28-26-22-15-9-11-17-24(22)29-25-18-12-10-16-23(25)26/h9,11,15,17H,1-8,10,12-14,16,18-20H2,(H,28,29)
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 7.10n/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)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456710
PNG
(CHEMBL4213722)
Show SMILES [#6]-c1ccc(-[#7]-[#6](=[Se;v2])-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c2c3-[#6]-[#6]-[#6]-[#6]-c3nc3ccccc23)cc1
Show InChI InChI=1S/C27H34N4Se/c1-20-14-16-21(17-15-20)30-27(32)29-19-9-3-2-8-18-28-26-22-10-4-6-12-24(22)31-25-13-7-5-11-23(25)26/h4,6,10,12,14-17H,2-3,5,7-9,11,13,18-19H2,1H3,(H,28,31)(H2,29,30,32)
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 7.60n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50515473
PNG
(CHEMBL4572757)
Show SMILES Oc1ccc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc1O
Show InChI InChI=1S/C26H33N3O2/c30-24-14-13-19(17-25(24)31)18-27-15-7-1-2-8-16-28-26-20-9-3-5-11-22(20)29-23-12-6-4-10-21(23)26/h3,5,9,11,13-14,17,27,30-31H,1-2,4,6-8,10,12,15-16,18H2,(H,28,29)
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 7.90n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456706
PNG
(CHEMBL4217176)
Show SMILES [#6](-[#6]-[#6]-[#6][Se;v2]c1ccccc1)-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12
Show InChI InChI=1S/C25H30N2Se/c1(2-11-19-28-20-12-4-3-5-13-20)10-18-26-25-21-14-6-8-16-23(21)27-24-17-9-7-15-22(24)25/h3-6,8,12-14,16H,1-2,7,9-11,15,17-19H2,(H,26,27)
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 8n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50515462
PNG
(CHEMBL4589250)
Show SMILES Oc1ccc(CCOCCCCCNc2c3CCCCc3nc3ccccc23)cc1O
Show InChI InChI=1S/C26H32N2O3/c29-24-13-12-19(18-25(24)30)14-17-31-16-7-1-6-15-27-26-20-8-2-4-10-22(20)28-23-11-5-3-9-21(23)26/h2,4,8,10,12-13,18,29-30H,1,3,5-7,9,11,14-17H2,(H,27,28)
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 9n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456701
PNG
(CHEMBL4218651)
Show SMILES Clc1ccc(-[#7]-[#6](=[Se;v2])-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c2c3-[#6]-[#6]-[#6]-[#6]-c3nc3ccccc23)cc1
Show InChI InChI=1S/C26H31ClN4Se/c27-19-13-15-20(16-14-19)30-26(32)29-18-8-2-1-7-17-28-25-21-9-3-5-11-23(21)31-24-12-6-4-10-22(24)25/h3,5,9,11,13-16H,1-2,4,6-8,10,12,17-18H2,(H,28,31)(H2,29,30,32)
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 9.30n/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)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456701
PNG
(CHEMBL4218651)
Show SMILES Clc1ccc(-[#7]-[#6](=[Se;v2])-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c2c3-[#6]-[#6]-[#6]-[#6]-c3nc3ccccc23)cc1
Show InChI InChI=1S/C26H31ClN4Se/c27-19-13-15-20(16-14-19)30-26(32)29-18-8-2-1-7-17-28-25-21-9-3-5-11-23(21)31-24-12-6-4-10-22(24)25/h3,5,9,11,13-16H,1-2,4,6-8,10,12,17-18H2,(H,28,31)(H2,29,30,32)
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 9.30n/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)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50345196
PNG
(CHEMBL1783191 | N1-(3,4-Dimethoxybenzyl)-N5-(1,2,3...)
Show SMILES COc1ccc(CNCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
Show InChI InChI=1S/C27H35N3O2/c1-31-25-15-14-20(18-26(25)32-2)19-28-16-8-3-9-17-29-27-21-10-4-6-12-23(21)30-24-13-7-5-11-22(24)27/h4,6,10,12,14-15,18,28H,3,5,7-9,11,13,16-17,19H2,1-2H3,(H,29,30)
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 9.90n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50515465
PNG
(CHEMBL4536715)
Show SMILES Oc1ccc(\C=N\c2c3CCCCc3nc3ccccc23)cc1O
Show InChI InChI=1S/C20H18N2O2/c23-18-10-9-13(11-19(18)24)12-21-20-14-5-1-3-7-16(14)22-17-8-4-2-6-15(17)20/h1,3,5,7,9-12,23-24H,2,4,6,8H2/b21-12+
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 11n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50456710
PNG
(CHEMBL4213722)
Show SMILES [#6]-c1ccc(-[#7]-[#6](=[Se;v2])-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c2c3-[#6]-[#6]-[#6]-[#6]-c3nc3ccccc23)cc1
Show InChI InChI=1S/C27H34N4Se/c1-20-14-16-21(17-15-20)30-27(32)29-19-9-3-2-8-18-28-26-22-10-4-6-12-24(22)31-25-13-7-5-11-23(25)26/h4,6,10,12,14-17H,2-3,5,7-9,11,13,18-19H2,1H3,(H,28,31)(H2,29,30,32)
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 11n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Non-competitive inhibition of equine serum BuChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweav...

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


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50456710
PNG
(CHEMBL4213722)
Show SMILES [#6]-c1ccc(-[#7]-[#6](=[Se;v2])-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c2c3-[#6]-[#6]-[#6]-[#6]-c3nc3ccccc23)cc1
Show InChI InChI=1S/C27H34N4Se/c1-20-14-16-21(17-15-20)30-27(32)29-19-9-3-2-8-18-28-26-22-10-4-6-12-24(22)31-25-13-7-5-11-23(25)26/h4,6,10,12,14-17H,2-3,5,7-9,11,13,18-19H2,1H3,(H,28,31)(H2,29,30,32)
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 11n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Non-competitive inhibition of equine serum BuChE assessed as enzyme-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk pl...

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


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50515468
PNG
(CHEMBL4483710)
Show SMILES Oc1ccc(CNc2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C20H20N2O/c23-15-11-9-14(10-12-15)13-21-20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1,3,5,7,9-12,23H,2,4,6,8,13H2,(H,21,22)
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 12n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456714
PNG
(CHEMBL4217969)
Show SMILES C(CCCSSCCCCCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C38H50N4S2/c1(13-25-39-37-29-17-5-9-21-33(29)41-34-22-10-6-18-30(34)37)3-15-27-43-44-28-16-4-2-14-26-40-38-31-19-7-11-23-35(31)42-36-24-12-8-20-32(36)38/h5,7,9,11,17,19,21,23H,1-4,6,8,10,12-16,18,20,22,24-28H2,(H,39,41)(H,40,42)
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 15n/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)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50456701
PNG
(CHEMBL4218651)
Show SMILES Clc1ccc(-[#7]-[#6](=[Se;v2])-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c2c3-[#6]-[#6]-[#6]-[#6]-c3nc3ccccc23)cc1
Show InChI InChI=1S/C26H31ClN4Se/c27-19-13-15-20(16-14-19)30-26(32)29-18-8-2-1-7-17-28-25-21-9-3-5-11-23(21)31-24-12-6-4-10-22(24)25/h3,5,9,11,13-16H,1-2,4,6-8,10,12,17-18H2,(H,28,31)(H2,29,30,32)
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 15n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Mixed-type inhibition of equine serum BuChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Bu...

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


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456714
PNG
(CHEMBL4217969)
Show SMILES C(CCCSSCCCCCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C38H50N4S2/c1(13-25-39-37-29-17-5-9-21-33(29)41-34-22-10-6-18-30(34)37)3-15-27-43-44-28-16-4-2-14-26-40-38-31-19-7-11-23-35(31)42-36-24-12-8-20-32(36)38/h5,7,9,11,17,19,21,23H,1-4,6,8,10,12-16,18,20,22,24-28H2,(H,39,41)(H,40,42)
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 15n/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)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		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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 17n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum BuChE assessed as enzyme-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk plot a...

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


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cholinesterase


(Equus caballus (Horse))		BDBM50515467
PNG
(CHEMBL4439554)
Show SMILES Oc1ccc(\C=N\c2c3CCCCc3nc3ccccc23)cc1
Show InChI InChI=1S/C20H18N2O/c23-15-11-9-14(10-12-15)13-21-20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1,3,5,7,9-13,23H,2,4,6,8H2/b21-13+
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 17n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		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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 17n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456703
PNG
(CHEMBL4209181)
Show SMILES N#CSCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C20H25N3S/c21-15-24-14-8-2-1-7-13-22-20-16-9-3-5-11-18(16)23-19-12-6-4-10-17(19)20/h3,5,9,11H,1-2,4,6-8,10,12-14H2,(H,22,23)
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 19n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50515454
PNG
(CHEMBL4550977)
Show SMILES C(Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C35H34N2O2/c1-3-11-27(12-4-1)24-38-33-20-19-26(23-34(33)39-25-28-13-5-2-6-14-28)21-22-36-35-29-15-7-9-17-31(29)37-32-18-10-8-16-30(32)35/h1-7,9,11-15,17,19-20,23H,8,10,16,18,21-22,24-25H2,(H,36,37)
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 22n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50515472
PNG
(CHEMBL4469822)
Show SMILES C(Cc1ccc(OCc2ccccc2)cc1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H28N2O/c1-2-8-22(9-3-1)20-31-23-16-14-21(15-17-23)18-19-29-28-24-10-4-6-12-26(24)30-27-13-7-5-11-25(27)28/h1-4,6,8-10,12,14-17H,5,7,11,13,18-20H2,(H,29,30)
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 22n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
More data for this
Ligand-Target Pair
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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 23n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE assessed as dissociation constant for enzyme-inhibitor complex using acetylthiocholine iodide as substrate measured f...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
More data for this
Ligand-Target Pair
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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 23n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


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

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


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50515461
PNG
(CHEMBL4535585)
Show SMILES Oc1ccc(CNc2c3CCCCc3nc3ccccc23)cc1O
Show InChI InChI=1S/C20H20N2O2/c23-18-10-9-13(11-19(18)24)12-21-20-14-5-1-3-7-16(14)22-17-8-4-2-6-15(17)20/h1,3,5,7,9-11,23-24H,2,4,6,8,12H2,(H,21,22)
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 25n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.053
BindingDB Entry DOI: 10.7270/Q23R0X60
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456715
PNG
(CHEMBL4213577)
Show SMILES [#6](-[#6]-[#6]-[#6][Se;v2][Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12)-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12
Show InChI InChI=1S/C38H50N4Se2/c1(13-25-39-37-29-17-5-9-21-33(29)41-34-22-10-6-18-30(34)37)3-15-27-43-44-28-16-4-2-14-26-40-38-31-19-7-11-23-35(31)42-36-24-12-8-20-32(36)38/h5,7,9,11,17,19,21,23H,1-4,6,8,10,12-16,18,20,22,24-28H2,(H,39,41)(H,40,42)
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 26n/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)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50456715
PNG
(CHEMBL4213577)
Show SMILES [#6](-[#6]-[#6]-[#6][Se;v2][Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12)-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12
Show InChI InChI=1S/C38H50N4Se2/c1(13-25-39-37-29-17-5-9-21-33(29)41-34-22-10-6-18-30(34)37)3-15-27-43-44-28-16-4-2-14-26-40-38-31-19-7-11-23-35(31)42-36-24-12-8-20-32(36)38/h5,7,9,11,17,19,21,23H,1-4,6,8,10,12-16,18,20,22,24-28H2,(H,39,41)(H,40,42)
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 26n/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)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
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