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Compile Data Set for Download or QSAR

Found 181 hits with Last Name = 'garneau-tsodikova' and Initial = 's'   
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
N-acetyltransferase Eis


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM349604
PNG
(US10208000, Compound 46)
Show SMILES CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
PDB

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n/an/a 0.240n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent




US Patent US10208000 (2019)


BindingDB Entry DOI: 10.7270/Q28S4S2Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435279
PNG
(CHEMBL2393107)
Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C38H46ClN5O2/c1-26-13-12-18-32(27(26)2)43-34-17-8-6-15-31(34)38(46)42-24-9-3-4-19-36(45)40-22-10-11-23-41-37-29-14-5-7-16-33(29)44-35-25-28(39)20-21-30(35)37/h6,8,12-13,15,17-18,20-21,25,43H,3-5,7,9-11,14,16,19,22-24H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)
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n/an/a 0.299n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435270
PNG
(CHEMBL2393227)
Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C36H43ClN4O/c1-25-14-13-19-31(26(25)2)40-33-18-10-8-16-30(33)36(42)39-23-12-6-4-3-5-11-22-38-35-28-15-7-9-17-32(28)41-34-24-27(37)20-21-29(34)35/h8,10,13-14,16,18-21,24,40H,3-7,9,11-12,15,17,22-23H2,1-2H3,(H,38,41)(H,39,42)
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n/an/a 0.495n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435291
PNG
(CHEMBL2393095)
Show SMILES NCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C22H32ClN3/c23-17-12-13-19-21(16-17)26-20-11-7-6-10-18(20)22(19)25-15-9-5-3-1-2-4-8-14-24/h12-13,16H,1-11,14-15,24H2,(H,25,26)
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n/an/a 0.604n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435289
PNG
(CHEMBL2393097)
Show SMILES NCCCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C25H38ClN3/c26-20-15-16-22-24(19-20)29-23-14-10-9-13-21(23)25(22)28-18-12-8-6-4-2-1-3-5-7-11-17-27/h15-16,19H,1-14,17-18,27H2,(H,28,29)
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n/an/a 0.648n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435268
PNG
(CHEMBL2393229)
Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C38H47ClN4O/c1-27-16-15-21-33(28(27)2)42-35-20-12-10-18-32(35)38(44)41-25-14-8-6-4-3-5-7-13-24-40-37-30-17-9-11-19-34(30)43-36-26-29(39)22-23-31(36)37/h10,12,15-16,18,20-23,26,42H,3-9,11,13-14,17,19,24-25H2,1-2H3,(H,40,43)(H,41,44)
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n/an/a 0.776n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435290
PNG
(CHEMBL2393096)
Show SMILES NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C23H34ClN3/c24-18-13-14-20-22(17-18)27-21-12-8-7-11-19(21)23(20)26-16-10-6-4-2-1-3-5-9-15-25/h13-14,17H,1-12,15-16,25H2,(H,26,27)
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n/an/a 0.932n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435278
PNG
(CHEMBL2393108)
Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C34H39ClN4O/c1-23-12-11-17-29(24(23)2)38-31-16-8-6-14-28(31)34(40)37-21-10-4-3-9-20-36-33-26-13-5-7-15-30(26)39-32-22-25(35)18-19-27(32)33/h6,8,11-12,14,16-19,22,38H,3-5,7,9-10,13,15,20-21H2,1-2H3,(H,36,39)(H,37,40)
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n/an/a 1n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435277
PNG
(CHEMBL2393109)
Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C37H44ClN5O2/c1-25-12-11-17-31(26(25)2)42-33-16-8-6-14-30(33)37(45)41-23-20-35(44)39-21-9-3-4-10-22-40-36-28-13-5-7-15-32(28)43-34-24-27(38)18-19-29(34)36/h6,8,11-12,14,16-19,24,42H,3-5,7,9-10,13,15,20-23H2,1-2H3,(H,39,44)(H,40,43)(H,41,45)
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n/an/a 1.10n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435292
PNG
(CHEMBL2393094)
Show SMILES NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C21H30ClN3/c22-16-11-12-18-20(15-16)25-19-10-6-5-9-17(19)21(18)24-14-8-4-2-1-3-7-13-23/h11-12,15H,1-10,13-14,23H2,(H,24,25)
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n/an/a 1.10n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435291
PNG
(CHEMBL2393095)
Show SMILES NCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C22H32ClN3/c23-17-12-13-19-21(16-17)26-20-11-7-6-10-18(20)22(19)25-15-9-5-3-1-2-4-8-14-24/h12-13,16H,1-11,14-15,24H2,(H,25,26)
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n/an/a 1.20n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435289
PNG
(CHEMBL2393097)
Show SMILES NCCCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C25H38ClN3/c26-20-15-16-22-24(19-20)29-23-14-10-9-13-21(23)25(22)28-18-12-8-6-4-2-1-3-5-7-11-17-27/h15-16,19H,1-14,17-18,27H2,(H,28,29)
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n/an/a 1.40n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435270
PNG
(CHEMBL2393227)
Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C36H43ClN4O/c1-25-14-13-19-31(26(25)2)40-33-18-10-8-16-30(33)36(42)39-23-12-6-4-3-5-11-22-38-35-28-15-7-9-17-32(28)41-34-24-27(37)20-21-29(34)35/h8,10,13-14,16,18-21,24,40H,3-7,9,11-12,15,17,22-23H2,1-2H3,(H,38,41)(H,39,42)
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n/an/a 1.5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435268
PNG
(CHEMBL2393229)
Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C38H47ClN4O/c1-27-16-15-21-33(28(27)2)42-35-20-12-10-18-32(35)38(44)41-25-14-8-6-4-3-5-7-13-24-40-37-30-17-9-11-19-34(30)43-36-26-29(39)22-23-31(36)37/h10,12,15-16,18,20-23,26,42H,3-9,11,13-14,17,19,24-25H2,1-2H3,(H,40,43)(H,41,44)
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n/an/a 1.90n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM9002
PNG
(6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amin...)
Show SMILES CCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C20H27ClN2/c1-2-3-4-5-8-13-22-20-16-9-6-7-10-18(16)23-19-14-15(21)11-12-17(19)20/h11-12,14H,2-10,13H2,1H3,(H,22,23)
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n/an/a 2n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435290
PNG
(CHEMBL2393096)
Show SMILES NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C23H34ClN3/c24-18-13-14-20-22(17-18)27-21-12-8-7-11-19(21)23(20)26-16-10-6-4-2-1-3-5-9-15-25/h13-14,17H,1-12,15-16,25H2,(H,26,27)
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n/an/a 2.20n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435285
PNG
(CHEMBL2393101)
Show SMILES CCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C22H31ClN2/c1-2-3-4-5-6-7-10-15-24-22-18-11-8-9-12-20(18)25-21-16-17(23)13-14-19(21)22/h13-14,16H,2-12,15H2,1H3,(H,24,25)
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n/an/a 2.30n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435282
PNG
(CHEMBL2393104)
Show SMILES OCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C19H25ClN2O/c20-14-9-10-16-18(13-14)22-17-8-4-3-7-15(17)19(16)21-11-5-1-2-6-12-23/h9-10,13,23H,1-8,11-12H2,(H,21,22)
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n/an/a 2.5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435275
PNG
(CHEMBL2393111)
Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C40H50ClN5O2/c1-28-15-14-20-34(29(28)2)45-36-19-10-8-17-33(36)40(48)44-26-13-5-6-21-38(47)42-24-11-3-4-12-25-43-39-31-16-7-9-18-35(31)46-37-27-30(41)22-23-32(37)39/h8,10,14-15,17,19-20,22-23,27,45H,3-7,9,11-13,16,18,21,24-26H2,1-2H3,(H,42,47)(H,43,46)(H,44,48)
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n/an/a 2.90n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435277
PNG
(CHEMBL2393109)
Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C37H44ClN5O2/c1-25-12-11-17-31(26(25)2)42-33-16-8-6-14-30(33)37(45)41-23-20-35(44)39-21-9-3-4-10-22-40-36-28-13-5-7-15-32(28)43-34-24-27(38)18-19-29(34)36/h6,8,11-12,14,16-19,24,42H,3-5,7,9-10,13,15,20-23H2,1-2H3,(H,39,44)(H,40,43)(H,41,45)
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n/an/a 3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435284
PNG
(CHEMBL2393102)
Show SMILES CCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C23H33ClN2/c1-2-3-4-5-6-7-8-11-16-25-23-19-12-9-10-13-21(19)26-22-17-18(24)14-15-20(22)23/h14-15,17H,2-13,16H2,1H3,(H,25,26)
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n/an/a 5.20n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435293
PNG
(CHEMBL2393093)
Show SMILES NCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C20H28ClN3/c21-15-10-11-17-19(14-15)24-18-9-5-4-8-16(18)20(17)23-13-7-3-1-2-6-12-22/h10-11,14H,1-9,12-13,22H2,(H,23,24)
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n/an/a 5.40n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435272
PNG
(CHEMBL2393225)
Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C39H48ClN5O2/c1-27-14-12-19-33(28(27)2)44-35-18-9-7-16-32(35)39(47)43-25-13-20-37(46)41-23-10-4-3-5-11-24-42-38-30-15-6-8-17-34(30)45-36-26-29(40)21-22-31(36)38/h7,9,12,14,16,18-19,21-22,26,44H,3-6,8,10-11,13,15,17,20,23-25H2,1-2H3,(H,41,46)(H,42,45)(H,43,47)
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n/an/a 6.60n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435269
PNG
(CHEMBL2393228)
Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C37H45ClN4O/c1-26-15-14-20-32(27(26)2)41-34-19-11-9-17-31(34)37(43)40-24-13-7-5-3-4-6-12-23-39-36-29-16-8-10-18-33(29)42-35-25-28(38)21-22-30(35)36/h9,11,14-15,17,19-22,25,41H,3-8,10,12-13,16,18,23-24H2,1-2H3,(H,39,42)(H,40,43)
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n/an/a 6.70n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435273
PNG
(CHEMBL2393224)
Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C38H46ClN5O2/c1-26-13-12-18-32(27(26)2)43-34-17-9-7-15-31(34)38(46)42-24-21-36(45)40-22-10-4-3-5-11-23-41-37-29-14-6-8-16-33(29)44-35-25-28(39)19-20-30(35)37/h7,9,12-13,15,17-20,25,43H,3-6,8,10-11,14,16,21-24H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)
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n/an/a 6.70n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435269
PNG
(CHEMBL2393228)
Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C37H45ClN4O/c1-26-15-14-20-32(27(26)2)41-34-19-11-9-17-31(34)37(43)40-24-13-7-5-3-4-6-12-23-39-36-29-16-8-10-18-33(29)42-35-25-28(38)21-22-30(35)36/h9,11,14-15,17,19-22,25,41H,3-8,10,12-13,16,18,23-24H2,1-2H3,(H,39,42)(H,40,43)
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n/an/a 6.90n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435275
PNG
(CHEMBL2393111)
Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C40H50ClN5O2/c1-28-15-14-20-34(29(28)2)45-36-19-10-8-17-33(36)40(48)44-26-13-5-6-21-38(47)42-24-11-3-4-12-25-43-39-31-16-7-9-18-35(31)46-37-27-30(41)22-23-32(37)39/h8,10,14-15,17,19-20,22-23,27,45H,3-7,9,11-13,16,18,21,24-26H2,1-2H3,(H,42,47)(H,43,46)(H,44,48)
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n/an/a 7.40n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435294
PNG
(CHEMBL2393092)
Show SMILES NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C19H26ClN3/c20-14-9-10-16-18(13-14)23-17-8-4-3-7-15(17)19(16)22-12-6-2-1-5-11-21/h9-10,13H,1-8,11-12,21H2,(H,22,23)
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n/an/a 7.90n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435272
PNG
(CHEMBL2393225)
Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C39H48ClN5O2/c1-27-14-12-19-33(28(27)2)44-35-18-9-7-16-32(35)39(47)43-25-13-20-37(46)41-23-10-4-3-5-11-24-42-38-30-15-6-8-17-34(30)45-36-26-29(40)21-22-31(36)38/h7,9,12,14,16,18-19,21-22,26,44H,3-6,8,10-11,13,15,17,20,23-25H2,1-2H3,(H,41,46)(H,42,45)(H,43,47)
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n/an/a 7.90n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435286
PNG
(CHEMBL2393100)
Show SMILES CCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C21H29ClN2/c1-2-3-4-5-6-9-14-23-21-17-10-7-8-11-19(17)24-20-15-16(22)12-13-18(20)21/h12-13,15H,2-11,14H2,1H3,(H,23,24)
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n/an/a 8n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435273
PNG
(CHEMBL2393224)
Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C38H46ClN5O2/c1-26-13-12-18-32(27(26)2)43-34-17-9-7-15-31(34)38(46)42-24-21-36(45)40-22-10-4-3-5-11-23-41-37-29-14-6-8-16-33(29)44-35-25-28(39)19-20-30(35)37/h7,9,12-13,15,17-20,25,43H,3-6,8,10-11,14,16,21-24H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)
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n/an/a 10n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435271
PNG
(CHEMBL2393226)
Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C41H52ClN5O2/c1-29-16-15-21-35(30(29)2)46-37-20-11-9-18-34(37)41(49)45-27-14-6-7-22-39(48)43-25-12-4-3-5-13-26-44-40-32-17-8-10-19-36(32)47-38-28-31(42)23-24-33(38)40/h9,11,15-16,18,20-21,23-24,28,46H,3-8,10,12-14,17,19,22,25-27H2,1-2H3,(H,43,48)(H,44,47)(H,45,49)
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n/an/a 11n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435294
PNG
(CHEMBL2393092)
Show SMILES NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C19H26ClN3/c20-14-9-10-16-18(13-14)23-17-8-4-3-7-15(17)19(16)22-12-6-2-1-5-11-21/h9-10,13H,1-8,11-12,21H2,(H,22,23)
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n/an/a 11n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435280
PNG
(CHEMBL2393106)
Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C36H42ClN5O2/c1-24-11-9-16-30(25(24)2)41-32-15-6-4-13-29(32)36(44)40-22-10-17-34(43)38-20-7-8-21-39-35-27-12-3-5-14-31(27)42-33-23-26(37)18-19-28(33)35/h4,6,9,11,13,15-16,18-19,23,41H,3,5,7-8,10,12,14,17,20-22H2,1-2H3,(H,38,43)(H,39,42)(H,40,44)
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n/an/a 12n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435271
PNG
(CHEMBL2393226)
Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C41H52ClN5O2/c1-29-16-15-21-35(30(29)2)46-37-20-11-9-18-34(37)41(49)45-27-14-6-7-22-39(48)43-25-12-4-3-5-13-26-44-40-32-17-8-10-19-36(32)47-38-28-31(42)23-24-33(38)40/h9,11,15-16,18,20-21,23-24,28,46H,3-8,10,12-14,17,19,22,25-27H2,1-2H3,(H,43,48)(H,44,47)(H,45,49)
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n/an/a 13n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435280
PNG
(CHEMBL2393106)
Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C36H42ClN5O2/c1-24-11-9-16-30(25(24)2)41-32-15-6-4-13-29(32)36(44)40-22-10-17-34(43)38-20-7-8-21-39-35-27-12-3-5-14-31(27)42-33-23-26(37)18-19-28(33)35/h4,6,9,11,13,15-16,18-19,23,41H,3,5,7-8,10,12,14,17,20-22H2,1-2H3,(H,38,43)(H,39,42)(H,40,44)
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n/an/a 14n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435293
PNG
(CHEMBL2393093)
Show SMILES NCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C20H28ClN3/c21-15-10-11-17-19(14-15)24-18-9-5-4-8-16(18)20(17)23-13-7-3-1-2-6-12-22/h10-11,14H,1-9,12-13,22H2,(H,23,24)
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n/an/a 15n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
N-acetyltransferase Eis


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50201765
PNG
(CHEMBL3931070)
Show SMILES Clc1cccc(c1)C(=O)CN1C(=O)C2(OCCO2)c2ccccc12
PDB

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n/an/a 15n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv Eis expressed in Escherichia coli BL21(DE3) using Acetyl-CoA as substrate preincubated for 10 mins fol...


ACS Med Chem Lett 7: 1219-1221 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00261
BindingDB Entry DOI: 10.7270/Q2251M51
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435267
PNG
(CHEMBL2393089)
Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C40H51ClN4O/c1-29-18-17-23-35(30(29)2)44-37-22-14-12-20-34(37)40(46)43-27-16-10-8-6-4-3-5-7-9-15-26-42-39-32-19-11-13-21-36(32)45-38-28-31(41)24-25-33(38)39/h12,14,17-18,20,22-25,28,44H,3-11,13,15-16,19,21,26-27H2,1-2H3,(H,42,45)(H,43,46)
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n/an/a 16n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435276
PNG
(CHEMBL2393110)
Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)NCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C38H46ClN5O2/c1-26-13-11-18-32(27(26)2)43-34-17-8-6-15-31(34)38(46)42-24-12-19-36(45)40-22-9-3-4-10-23-41-37-29-14-5-7-16-33(29)44-35-25-28(39)20-21-30(35)37/h6,8,11,13,15,17-18,20-21,25,43H,3-5,7,9-10,12,14,16,19,22-24H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)
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n/an/a 16n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM9002
PNG
(6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amin...)
Show SMILES CCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C20H27ClN2/c1-2-3-4-5-8-13-22-20-16-9-6-7-10-18(16)23-19-14-15(21)11-12-17(19)20/h11-12,14H,2-10,13H2,1H3,(H,22,23)
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n/an/a 16n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435285
PNG
(CHEMBL2393101)
Show SMILES CCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C22H31ClN2/c1-2-3-4-5-6-7-10-15-24-22-18-11-8-9-12-20(18)25-21-16-17(23)13-14-19(21)22/h13-14,16H,2-12,15H2,1H3,(H,24,25)
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n/an/a 17n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435286
PNG
(CHEMBL2393100)
Show SMILES CCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C21H29ClN2/c1-2-3-4-5-6-9-14-23-21-17-10-7-8-11-19(17)24-20-15-16(22)12-13-18(20)21/h12-13,15H,2-11,14H2,1H3,(H,23,24)
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n/an/a 20n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435287
PNG
(CHEMBL2393099)
Show SMILES CCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C19H25ClN2/c1-2-3-4-7-12-21-19-15-8-5-6-9-17(15)22-18-13-14(20)10-11-16(18)19/h10-11,13H,2-9,12H2,1H3,(H,21,22)
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n/an/a 26n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435288
PNG
(CHEMBL2393098)
Show SMILES CCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C18H23ClN2/c1-2-3-6-11-20-18-14-7-4-5-8-16(14)21-17-12-13(19)9-10-15(17)18/h9-10,12H,2-8,11H2,1H3,(H,20,21)
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n/an/a 26n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
N-acetyltransferase Eis


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM349600
PNG
(US10208000, Compound 42)
Show SMILES CCc1cccc(c1)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
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n/an/a 27n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent




US Patent US10208000 (2019)


BindingDB Entry DOI: 10.7270/Q28S4S2Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435274
PNG
(CHEMBL2390978)
Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C35H41ClN4O/c1-24-13-12-18-30(25(24)2)39-32-17-9-7-15-29(32)35(41)38-22-11-5-3-4-10-21-37-34-27-14-6-8-16-31(27)40-33-23-26(36)19-20-28(33)34/h7,9,12-13,15,17-20,23,39H,3-6,8,10-11,14,16,21-22H2,1-2H3,(H,37,40)(H,38,41)
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University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435281
PNG
(CHEMBL2393105)
Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCC(=O)NCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C35H40ClN5O2/c1-23-10-9-15-29(24(23)2)40-31-14-6-4-12-28(31)35(43)39-21-18-33(42)37-19-7-8-20-38-34-26-11-3-5-13-30(26)41-32-22-25(36)16-17-27(32)34/h4,6,9-10,12,14-17,22,40H,3,5,7-8,11,13,18-21H2,1-2H3,(H,37,42)(H,38,41)(H,39,43)
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n/an/a 33n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 30 mins prior to horseradish peroxidase, H2O2 and DETAPAC addition measured for 20 mins under ROS co...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435279
PNG
(CHEMBL2393107)
Show SMILES Cc1cccc(Nc2ccccc2C(=O)NCCCCCC(=O)NCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c1C
Show InChI InChI=1S/C38H46ClN5O2/c1-26-13-12-18-32(27(26)2)43-34-17-8-6-15-31(34)38(46)42-24-9-3-4-19-36(45)40-22-10-11-23-41-37-29-14-5-7-16-33(29)44-35-25-28(39)20-21-30(35)37/h6,8,12-13,15,17-18,20-21,25,43H,3-5,7,9-11,14,16,19,22-24H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)
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n/an/a 37n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50435296
PNG
(CHEMBL2393090)
Show SMILES NCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C17H22ClN3/c18-12-7-8-14-16(11-12)21-15-6-2-1-5-13(15)17(14)20-10-4-3-9-19/h7-8,11H,1-6,9-10,19H2,(H,20,21)
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n/an/a 38n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 10 mins prior to substrate addition measured every 30 seconds f...


Bioorg Med Chem 21: 3614-23 (2013)


Article DOI: 10.1016/j.bmc.2013.02.047
BindingDB Entry DOI: 10.7270/Q2WQ0557
More data for this
Ligand-Target Pair
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