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PubMed code 23685572

Compile data set for download or QSAR
Found 55 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))		BDBM50435960
PNG
(CHEMBL2391486)
Show SMILES Cc1cc(=O)oc2cc(OCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C31H34N4O4/c1-21-18-30(37)39-28-19-22(10-11-23(21)28)38-17-16-34-12-14-35(15-13-34)20-29(36)33-31-24-6-2-4-8-26(24)32-27-9-5-3-7-25(27)31/h2,4,6,8,10-11,18-19H,3,5,7,9,12-17,20H2,1H3,(H,32,33,36)
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 81n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Competitive inhibition of electric eel AChE using acetylthiocholine as substrate by Lineweaver-Burk plot analysis

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
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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n/an/a 42n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435960
PNG
(CHEMBL2391486)
Show SMILES Cc1cc(=O)oc2cc(OCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C31H34N4O4/c1-21-18-30(37)39-28-19-22(10-11-23(21)28)38-17-16-34-12-14-35(15-13-34)20-29(36)33-31-24-6-2-4-8-26(24)32-27-9-5-3-7-25(27)31/h2,4,6,8,10-11,18-19H,3,5,7,9,12-17,20H2,1H3,(H,32,33,36)
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n/an/a 92n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435956
PNG
(CHEMBL2391490)
Show SMILES Cc1cc(=O)oc2cc(OCCCCCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C35H42N4O4/c1-25-22-34(41)43-32-23-26(14-15-27(25)32)42-21-9-3-2-8-16-38-17-19-39(20-18-38)24-33(40)37-35-28-10-4-6-12-30(28)36-31-13-7-5-11-29(31)35/h4,6,10,12,14-15,22-23H,2-3,5,7-9,11,13,16-21,24H2,1H3,(H,36,37,40)
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n/an/a 99n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435953
PNG
(CHEMBL2391487)
Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C32H36N4O4/c1-22-19-31(38)40-29-20-23(11-12-24(22)29)39-18-6-13-35-14-16-36(17-15-35)21-30(37)34-32-25-7-2-4-9-27(25)33-28-10-5-3-8-26(28)32/h2,4,7,9,11-12,19-20H,3,5-6,8,10,13-18,21H2,1H3,(H,33,34,37)
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n/an/a 130n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435955
PNG
(CHEMBL2391654)
Show SMILES O=C(CN1CCN(CCCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H34N4O4/c36-29(33-31-24-6-1-3-8-26(24)32-27-9-4-2-7-25(27)31)21-35-17-15-34(16-18-35)14-5-19-38-23-12-10-22-11-13-30(37)39-28(22)20-23/h1,3,6,8,10-13,20H,2,4-5,7,9,14-19,21H2,(H,32,33,36)
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n/an/a 133n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435961
PNG
(CHEMBL2391488)
Show SMILES Cc1cc(=O)oc2cc(OCCCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C33H38N4O4/c1-23-20-32(39)41-30-21-24(12-13-25(23)30)40-19-7-6-14-36-15-17-37(18-16-36)22-31(38)35-33-26-8-2-4-10-28(26)34-29-11-5-3-9-27(29)33/h2,4,8,10,12-13,20-21H,3,5-7,9,11,14-19,22H2,1H3,(H,34,35,38)
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n/an/a 147n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435954
PNG
(CHEMBL2391653)
Show SMILES O=C(CN1CCN(CCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H32N4O4/c35-28(32-30-23-5-1-3-7-25(23)31-26-8-4-2-6-24(26)30)20-34-15-13-33(14-16-34)17-18-37-22-11-9-21-10-12-29(36)38-27(21)19-22/h1,3,5,7,9-12,19H,2,4,6,8,13-18,20H2,(H,31,32,35)
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n/an/a 150n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435942
PNG
(CHEMBL2391491)
Show SMILES COc1cc(=O)oc2cc(OCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C31H34N4O5/c1-38-27-19-30(37)40-28-18-21(10-11-24(27)28)39-17-16-34-12-14-35(15-13-34)20-29(36)33-31-22-6-2-4-8-25(22)32-26-9-5-3-7-23(26)31/h2,4,6,8,10-11,18-19H,3,5,7,9,12-17,20H2,1H3,(H,32,33,36)
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n/an/a 150n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435957
PNG
(CHEMBL2391489)
Show SMILES Cc1cc(=O)oc2cc(OCCCCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C34H40N4O4/c1-24-21-33(40)42-31-22-25(13-14-26(24)31)41-20-8-2-7-15-37-16-18-38(19-17-37)23-32(39)36-34-27-9-3-5-11-29(27)35-30-12-6-4-10-28(30)34/h3,5,9,11,13-14,21-22H,2,4,6-8,10,12,15-20,23H2,1H3,(H,35,36,39)
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n/an/a 164n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435946
PNG
(CHEMBL2391492)
Show SMILES COc1cc(=O)oc2cc(OCCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C32H36N4O5/c1-39-28-20-31(38)41-29-19-22(11-12-25(28)29)40-18-6-13-35-14-16-36(17-15-35)21-30(37)34-32-23-7-2-4-9-26(23)33-27-10-5-3-8-24(27)32/h2,4,7,9,11-12,19-20H,3,5-6,8,10,13-18,21H2,1H3,(H,33,34,37)
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n/an/a 166n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435959
PNG
(CHEMBL2391483)
Show SMILES O=C(CN1CCN(CCCCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H36N4O4/c37-30(34-32-25-7-1-3-9-27(25)33-28-10-4-2-8-26(28)32)22-36-18-16-35(17-19-36)15-5-6-20-39-24-13-11-23-12-14-31(38)40-29(23)21-24/h1,3,7,9,11-14,21H,2,4-6,8,10,15-20,22H2,(H,33,34,37)
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n/an/a 169n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435961
PNG
(CHEMBL2391488)
Show SMILES Cc1cc(=O)oc2cc(OCCCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C33H38N4O4/c1-23-20-32(39)41-30-21-24(12-13-25(23)30)40-19-7-6-14-36-15-17-37(18-16-36)22-31(38)35-33-26-8-2-4-10-28(26)34-29-11-5-3-9-27(29)33/h2,4,8,10,12-13,20-21H,3,5-7,9,11,14-19,22H2,1H3,(H,34,35,38)
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n/an/a 187n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435952
PNG
(CHEMBL2391485)
Show SMILES O=C(CN1CCN(CCCCCCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H40N4O4/c39-32(36-34-27-9-3-5-11-29(27)35-30-12-6-4-10-28(30)34)24-38-20-18-37(19-21-38)17-7-1-2-8-22-41-26-15-13-25-14-16-33(40)42-31(25)23-26/h3,5,9,11,13-16,23H,1-2,4,6-8,10,12,17-22,24H2,(H,35,36,39)
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n/an/a 210n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435958
PNG
(CHEMBL2391484)
Show SMILES O=C(CN1CCN(CCCCCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H38N4O4/c38-31(35-33-26-8-2-4-10-28(26)34-29-11-5-3-9-27(29)33)23-37-19-17-36(18-20-37)16-6-1-7-21-40-25-14-12-24-13-15-32(39)41-30(24)22-25/h2,4,8,10,12-15,22H,1,3,5-7,9,11,16-21,23H2,(H,34,35,38)
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n/an/a 215n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435960
PNG
(CHEMBL2391486)
Show SMILES Cc1cc(=O)oc2cc(OCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C31H34N4O4/c1-21-18-30(37)39-28-19-22(10-11-23(21)28)38-17-16-34-12-14-35(15-13-34)20-29(36)33-31-24-6-2-4-8-26(24)32-27-9-5-3-7-25(27)31/h2,4,6,8,10-11,18-19H,3,5,7,9,12-17,20H2,1H3,(H,32,33,36)
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n/an/a 234n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435944
PNG
(CHEMBL2391475)
Show SMILES COc1cc(=O)oc2cc(OCCCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C33H38N4O5/c1-40-29-21-32(39)42-30-20-23(12-13-26(29)30)41-19-7-6-14-36-15-17-37(18-16-36)22-31(38)35-33-24-8-2-4-10-27(24)34-28-11-5-3-9-25(28)33/h2,4,8,10,12-13,20-21H,3,5-7,9,11,14-19,22H2,1H3,(H,34,35,38)
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n/an/a 237n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
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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n/an/a 269n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435959
PNG
(CHEMBL2391483)
Show SMILES O=C(CN1CCN(CCCCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H36N4O4/c37-30(34-32-25-7-1-3-9-27(25)33-28-10-4-2-8-26(28)32)22-36-18-16-35(17-19-36)15-5-6-20-39-24-13-11-23-12-14-31(38)40-29(23)21-24/h1,3,7,9,11-14,21H,2,4-6,8,10,15-20,22H2,(H,33,34,37)
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n/an/a 309n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435958
PNG
(CHEMBL2391484)
Show SMILES O=C(CN1CCN(CCCCCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H38N4O4/c38-31(35-33-26-8-2-4-10-28(26)34-29-11-5-3-9-27(29)33)23-37-19-17-36(18-20-37)16-6-1-7-21-40-25-14-12-24-13-15-32(39)41-30(24)22-25/h2,4,8,10,12-15,22H,1,3,5-7,9,11,16-21,23H2,(H,34,35,38)
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n/an/a 310n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435957
PNG
(CHEMBL2391489)
Show SMILES Cc1cc(=O)oc2cc(OCCCCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C34H40N4O4/c1-24-21-33(40)42-31-22-25(13-14-26(24)31)41-20-8-2-7-15-37-16-18-38(19-17-37)23-32(39)36-34-27-9-3-5-11-29(27)35-30-12-6-4-10-28(30)34/h3,5,9,11,13-14,21-22H,2,4,6-8,10,12,15-20,23H2,1H3,(H,35,36,39)
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n/an/a 333n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435951
PNG
(CHEMBL2391476)
Show SMILES COc1cc(=O)oc2cc(OCCCCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C34H40N4O5/c1-41-30-22-33(40)43-31-21-24(13-14-27(30)31)42-20-8-2-7-15-37-16-18-38(19-17-37)23-32(39)36-34-25-9-3-5-11-28(25)35-29-12-6-4-10-26(29)34/h3,5,9,11,13-14,21-22H,2,4,6-8,10,12,15-20,23H2,1H3,(H,35,36,39)
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n/an/a 357n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435950
PNG
(CHEMBL2391478)
Show SMILES O=C(CN1CCN(CCOc2ccc3c(cc(=O)oc3c2)-c2ccccc2)CC1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C36H36N4O4/c41-34(38-36-28-10-4-6-12-31(28)37-32-13-7-5-11-29(32)36)24-40-18-16-39(17-19-40)20-21-43-26-14-15-27-30(25-8-2-1-3-9-25)23-35(42)44-33(27)22-26/h1-4,6,8-10,12,14-15,22-23H,5,7,11,13,16-21,24H2,(H,37,38,41)
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n/an/a 373n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435956
PNG
(CHEMBL2391490)
Show SMILES Cc1cc(=O)oc2cc(OCCCCCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C35H42N4O4/c1-25-22-34(41)43-32-23-26(14-15-27(25)32)42-21-9-3-2-8-16-38-17-19-39(20-18-38)24-33(40)37-35-28-10-4-6-12-30(28)36-31-13-7-5-11-29(31)35/h4,6,10,12,14-15,22-23H,2-3,5,7-9,11,13,16-21,24H2,1H3,(H,36,37,40)
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n/an/a 398n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435955
PNG
(CHEMBL2391654)
Show SMILES O=C(CN1CCN(CCCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H34N4O4/c36-29(33-31-24-6-1-3-8-26(24)32-27-9-4-2-7-25(27)31)21-35-17-15-34(16-18-35)14-5-19-38-23-12-10-22-11-13-30(37)39-28(22)20-23/h1,3,6,8,10-13,20H,2,4-5,7,9,14-19,21H2,(H,32,33,36)
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n/an/a 440n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435954
PNG
(CHEMBL2391653)
Show SMILES O=C(CN1CCN(CCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H32N4O4/c35-28(32-30-23-5-1-3-7-25(23)31-26-8-4-2-6-24(26)30)20-34-15-13-33(14-16-34)17-18-37-22-11-9-21-10-12-29(36)38-27(21)19-22/h1,3,5,7,9-12,19H,2,4,6,8,13-18,20H2,(H,31,32,35)
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n/an/a 493n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435953
PNG
(CHEMBL2391487)
Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C32H36N4O4/c1-22-19-31(38)40-29-20-23(11-12-24(22)29)39-18-6-13-35-14-16-36(17-15-35)21-30(37)34-32-25-7-2-4-9-27(25)33-28-10-5-3-8-26(28)32/h2,4,7,9,11-12,19-20H,3,5-6,8,10,13-18,21H2,1H3,(H,33,34,37)
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n/an/a 628n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435952
PNG
(CHEMBL2391485)
Show SMILES O=C(CN1CCN(CCCCCCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H40N4O4/c39-32(36-34-27-9-3-5-11-29(27)35-30-12-6-4-10-28(30)34)24-38-20-18-37(19-21-38)17-7-1-2-8-22-41-26-15-13-25-14-16-33(40)42-31(25)23-26/h3,5,9,11,13-16,23H,1-2,4,6-8,10,12,17-22,24H2,(H,35,36,39)
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n/an/a 646n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435951
PNG
(CHEMBL2391476)
Show SMILES COc1cc(=O)oc2cc(OCCCCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C34H40N4O5/c1-41-30-22-33(40)43-31-21-24(13-14-27(30)31)42-20-8-2-7-15-37-16-18-38(19-17-37)23-32(39)36-34-25-9-3-5-11-28(25)35-29-12-6-4-10-26(29)34/h3,5,9,11,13-14,21-22H,2,4,6-8,10,12,15-20,23H2,1H3,(H,35,36,39)
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n/an/a 730n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435945
PNG
(CHEMBL2391479)
Show SMILES O=C(CN1CCN(CCCOc2ccc3c(cc(=O)oc3c2)-c2ccccc2)CC1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C37H38N4O4/c42-35(39-37-29-11-4-6-13-32(29)38-33-14-7-5-12-30(33)37)25-41-20-18-40(19-21-41)17-8-22-44-27-15-16-28-31(26-9-2-1-3-10-26)24-36(43)45-34(28)23-27/h1-4,6,9-11,13,15-16,23-24H,5,7-8,12,14,17-22,25H2,(H,38,39,42)
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n/an/a 887n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435948
PNG
(CHEMBL2391477)
Show SMILES COc1cc(=O)oc2cc(OCCCCCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C35H42N4O5/c1-42-31-23-34(41)44-32-22-25(14-15-28(31)32)43-21-9-3-2-8-16-38-17-19-39(20-18-38)24-33(40)37-35-26-10-4-6-12-29(26)36-30-13-7-5-11-27(30)35/h4,6,10,12,14-15,22-23H,2-3,5,7-9,11,13,16-21,24H2,1H3,(H,36,37,40)
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n/an/a 993n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435947
PNG
(CHEMBL2391480)
Show SMILES O=C(CN1CCN(CCCCOc2ccc3c(cc(=O)oc3c2)-c2ccccc2)CC1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C38H40N4O4/c43-36(40-38-30-12-4-6-14-33(30)39-34-15-7-5-13-31(34)38)26-42-21-19-41(20-22-42)18-8-9-23-45-28-16-17-29-32(27-10-2-1-3-11-27)25-37(44)46-35(29)24-28/h1-4,6,10-12,14,16-17,24-25H,5,7-9,13,15,18-23,26H2,(H,39,40,43)
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n/an/a 1.11E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435949
PNG
(CHEMBL2391481)
Show SMILES O=C(CN1CCN(CCCCCOc2ccc3c(cc(=O)oc3c2)-c2ccccc2)CC1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C39H42N4O4/c44-37(41-39-31-13-5-7-15-34(31)40-35-16-8-6-14-32(35)39)27-43-22-20-42(21-23-43)19-9-2-10-24-46-29-17-18-30-33(28-11-3-1-4-12-28)26-38(45)47-36(30)25-29/h1,3-5,7,11-13,15,17-18,25-26H,2,6,8-10,14,16,19-24,27H2,(H,40,41,44)
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n/an/a 1.27E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435950
PNG
(CHEMBL2391478)
Show SMILES O=C(CN1CCN(CCOc2ccc3c(cc(=O)oc3c2)-c2ccccc2)CC1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C36H36N4O4/c41-34(38-36-28-10-4-6-12-31(28)37-32-13-7-5-11-29(32)36)24-40-18-16-39(17-19-40)20-21-43-26-14-15-27-30(25-8-2-1-3-9-25)23-35(42)44-33(27)22-26/h1-4,6,8-10,12,14-15,22-23H,5,7,11,13,16-21,24H2,(H,37,38,41)
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n/an/a 1.51E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435949
PNG
(CHEMBL2391481)
Show SMILES O=C(CN1CCN(CCCCCOc2ccc3c(cc(=O)oc3c2)-c2ccccc2)CC1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C39H42N4O4/c44-37(41-39-31-13-5-7-15-34(31)40-35-16-8-6-14-32(35)39)27-43-22-20-42(21-23-43)19-9-2-10-24-46-29-17-18-30-33(28-11-3-1-4-12-28)26-38(45)47-36(30)25-29/h1,3-5,7,11-13,15,17-18,25-26H,2,6,8-10,14,16,19-24,27H2,(H,40,41,44)
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n/an/a 1.58E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435948
PNG
(CHEMBL2391477)
Show SMILES COc1cc(=O)oc2cc(OCCCCCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C35H42N4O5/c1-42-31-23-34(41)44-32-22-25(14-15-28(31)32)43-21-9-3-2-8-16-38-17-19-39(20-18-38)24-33(40)37-35-26-10-4-6-12-29(26)36-30-13-7-5-11-27(30)35/h4,6,10,12,14-15,22-23H,2-3,5,7-9,11,13,16-21,24H2,1H3,(H,36,37,40)
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n/an/a 1.78E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435947
PNG
(CHEMBL2391480)
Show SMILES O=C(CN1CCN(CCCCOc2ccc3c(cc(=O)oc3c2)-c2ccccc2)CC1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C38H40N4O4/c43-36(40-38-30-12-4-6-14-33(30)39-34-15-7-5-13-31(34)38)26-42-21-19-41(20-22-42)18-8-9-23-45-28-16-17-29-32(27-10-2-1-3-11-27)25-37(44)46-35(29)24-28/h1-4,6,10-12,14,16-17,24-25H,5,7-9,13,15,18-23,26H2,(H,39,40,43)
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n/an/a 1.82E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435946
PNG
(CHEMBL2391492)
Show SMILES COc1cc(=O)oc2cc(OCCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C32H36N4O5/c1-39-28-20-31(38)41-29-19-22(11-12-25(28)29)40-18-6-13-35-14-16-36(17-15-35)21-30(37)34-32-23-7-2-4-9-26(23)33-27-10-5-3-8-24(27)32/h2,4,7,9,11-12,19-20H,3,5-6,8,10,13-18,21H2,1H3,(H,33,34,37)
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n/an/a 1.83E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435943
PNG
(CHEMBL2391482)
Show SMILES O=C(CN1CCN(CCCCCCOc2ccc3c(cc(=O)oc3c2)-c2ccccc2)CC1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C40H44N4O4/c45-38(42-40-32-14-6-8-16-35(32)41-36-17-9-7-15-33(36)40)28-44-23-21-43(22-24-44)20-10-1-2-11-25-47-30-18-19-31-34(29-12-4-3-5-13-29)27-39(46)48-37(31)26-30/h3-6,8,12-14,16,18-19,26-27H,1-2,7,9-11,15,17,20-25,28H2,(H,41,42,45)
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n/an/a 2.36E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 2.67E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435945
PNG
(CHEMBL2391479)
Show SMILES O=C(CN1CCN(CCCOc2ccc3c(cc(=O)oc3c2)-c2ccccc2)CC1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C37H38N4O4/c42-35(39-37-29-11-4-6-13-32(29)38-33-14-7-5-12-30(33)37)25-41-20-18-40(19-21-41)17-8-22-44-27-15-16-28-31(26-9-2-1-3-10-26)24-36(43)45-34(28)23-27/h1-4,6,9-11,13,15-16,23-24H,5,7-8,12,14,17-22,25H2,(H,38,39,42)
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n/an/a 3.16E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435944
PNG
(CHEMBL2391475)
Show SMILES COc1cc(=O)oc2cc(OCCCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C33H38N4O5/c1-40-29-21-32(39)42-30-20-23(12-13-26(29)30)41-19-7-6-14-36-15-17-37(18-16-36)22-31(38)35-33-24-8-2-4-10-27(24)34-28-11-5-3-9-25(28)33/h2,4,8,10,12-13,20-21H,3,5-7,9,11,14-19,22H2,1H3,(H,34,35,38)
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n/an/a 3.63E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435943
PNG
(CHEMBL2391482)
Show SMILES O=C(CN1CCN(CCCCCCOc2ccc3c(cc(=O)oc3c2)-c2ccccc2)CC1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C40H44N4O4/c45-38(42-40-32-14-6-8-16-35(32)41-36-17-9-7-15-33(36)40)28-44-23-21-43(22-24-44)20-10-1-2-11-25-47-30-18-19-31-34(29-12-4-3-5-13-29)27-39(46)48-37(31)26-30/h3-6,8,12-14,16,18-19,26-27H,1-2,7,9-11,15,17,20-25,28H2,(H,41,42,45)
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n/an/a 4.51E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435942
PNG
(CHEMBL2391491)
Show SMILES COc1cc(=O)oc2cc(OCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12
Show InChI InChI=1S/C31H34N4O5/c1-38-27-19-30(37)40-28-18-21(10-11-24(27)28)39-17-16-34-12-14-35(15-13-34)20-29(36)33-31-22-6-2-4-8-25(22)32-26-9-5-3-7-23(26)31/h2,4,6,8,10-11,18-19H,3,5,7,9,12-17,20H2,1H3,(H,32,33,36)
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n/an/a 5.14E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 1.27E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435941
PNG
(CHEMBL2391652)
Show SMILES O=C(CN1CCNCC1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C19H24N4O/c24-18(13-23-11-9-20-10-12-23)22-19-14-5-1-3-7-16(14)21-17-8-4-2-6-15(17)19/h1,3,5,7,20H,2,4,6,8-13H2,(H,21,22,24)
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n/an/a 2.20E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50174558
PNG
(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Show SMILES Oc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
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n/an/a 1.40E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435941
PNG
(CHEMBL2391652)
Show SMILES O=C(CN1CCNCC1)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C19H24N4O/c24-18(13-23-11-9-20-10-12-23)22-19-14-5-1-3-7-16(14)21-17-8-4-2-6-15(17)19/h1,3,5,7,20H,2,4,6,8-13H2,(H,21,22,24)
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n/an/a 1.45E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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n/an/a 1.67E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50435940
PNG
(CHEMBL2391651)
Show SMILES COc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O4/c1-13-8-5-10(12)14-9-4-6(11)2-3-7(8)9/h2-5,11H,1H3
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n/an/a 2.08E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50104891
PNG
(7-Hydroxy-4-phenyl-chromen-2-one | 7-hydroxy-4-phe...)
Show SMILES Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-11-6-7-12-13(10-4-2-1-3-5-10)9-15(17)18-14(12)8-11/h1-9,16H
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n/an/a 2.58E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50174558
PNG
(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Show SMILES Oc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
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n/an/a>5.00E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50104891
PNG
(7-Hydroxy-4-phenyl-chromen-2-one | 7-hydroxy-4-phe...)
Show SMILES Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-11-6-7-12-13(10-4-2-1-3-5-10)9-15(17)18-14(12)8-11/h1-9,16H
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n/an/a>5.00E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50435940
PNG
(CHEMBL2391651)
Show SMILES COc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O4/c1-13-8-5-10(12)14-9-4-6(11)2-3-7(8)9/h2-5,11H,1H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...

Eur J Med Chem 64: 540-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.051
BindingDB Entry DOI: 10.7270/Q2H996KW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%