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Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'wang' and Initial = 'cm'   
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))		BDBM50393864
PNG
(CHEMBL2158116)
Show SMILES CCN(CCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C29H33N5OS/c1-2-34(19-27(35)33-29-32-26(20-36-29)21-11-4-3-5-12-21)18-10-17-30-28-22-13-6-8-15-24(22)31-25-16-9-7-14-23(25)28/h3-6,8,11-13,15,20H,2,7,9-10,14,16-19H2,1H3,(H,30,31)(H,32,33,35)
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n/an/a 0.0447n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50393868
PNG
(CHEMBL2158112)
Show SMILES O=C(CCC(=O)Nc1nc(cs1)-c1ccccc1)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H37N5O2S/c38-29(18-19-30(39)37-32-36-28(22-40-32)23-12-4-3-5-13-23)33-20-10-1-2-11-21-34-31-24-14-6-8-16-26(24)35-27-17-9-7-15-25(27)31/h3-6,8,12-14,16,22H,1-2,7,9-11,15,17-21H2,(H,33,38)(H,34,35)(H,36,37,39)
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n/an/a 0.355n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50393858
PNG
(CHEMBL2158122)
Show SMILES CCN(CCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccc(OC)cc1
Show InChI InChI=1S/C31H37N5O2S/c1-3-36(20-17-29(37)35-31-34-28(21-39-31)22-13-15-23(38-2)16-14-22)19-8-18-32-30-24-9-4-6-11-26(24)33-27-12-7-5-10-25(27)30/h4,6,9,11,13-16,21H,3,5,7-8,10,12,17-20H2,1-2H3,(H,32,33)(H,34,35,37)
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n/an/a 0.479n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50393867
PNG
(CHEMBL2158113)
Show SMILES O=C(CCCC(=O)Nc1nc(cs1)-c1ccccc1)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H35N5O2S/c37-28(17-10-18-29(38)36-31-35-27(21-39-31)22-11-2-1-3-12-22)32-19-8-9-20-33-30-23-13-4-6-15-25(23)34-26-16-7-5-14-24(26)30/h1-4,6,11-13,15,21H,5,7-10,14,16-20H2,(H,32,37)(H,33,34)(H,35,36,38)
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n/an/a 0.550n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50393870
PNG
(CHEMBL2158110)
Show SMILES O=C(CCC(=O)Nc1nc(cs1)-c1ccccc1)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H33N5O2S/c36-27(16-17-28(37)35-30-34-26(20-38-30)21-10-2-1-3-11-21)31-18-8-9-19-32-29-22-12-4-6-14-24(22)33-25-15-7-5-13-23(25)29/h1-4,6,10-12,14,20H,5,7-9,13,15-19H2,(H,31,36)(H,32,33)(H,34,35,37)
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n/an/a 0.603n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
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 3.80n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 3.80n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase using butyrylcholine chloride as substrate incubated for 5 mins prior to substrate addition measur...

J Med Chem 55: 3588-92 (2012)


Article DOI: 10.1021/jm300124p
BindingDB Entry DOI: 10.7270/Q2QJ7JBD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cholinesterase


(Equus caballus (Horse))		BDBM50393857
PNG
(CHEMBL2158123)
Show SMILES CCN(CCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C30H34ClN5OS/c1-2-36(19-16-28(37)35-30-34-27(20-38-30)21-12-14-22(31)15-13-21)18-7-17-32-29-23-8-3-5-10-25(23)33-26-11-6-4-9-24(26)29/h3,5,8,10,12-15,20H,2,4,6-7,9,11,16-19H2,1H3,(H,32,33)(H,34,35,37)
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n/an/a 4.17n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50393859
PNG
(CHEMBL2158121)
Show SMILES CCN(CCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C30H35N5OS/c1-2-35(20-17-28(36)34-30-33-27(21-37-30)22-11-4-3-5-12-22)19-10-18-31-29-23-13-6-8-15-25(23)32-26-16-9-7-14-24(26)29/h3-6,8,11-13,15,21H,2,7,9-10,14,16-20H2,1H3,(H,31,32)(H,33,34,36)
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n/an/a 6.03n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50393855
PNG
(CHEMBL2158125)
Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccc(OC)cc1
Show InChI InChI=1S/C32H39N5O2S/c1-3-37(21-18-30(38)36-32-35-29(22-40-32)23-14-16-24(39-2)17-15-23)20-9-8-19-33-31-25-10-4-6-12-27(25)34-28-13-7-5-11-26(28)31/h4,6,10,12,14-17,22H,3,5,7-9,11,13,18-21H2,1-2H3,(H,33,34)(H,35,36,38)
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n/an/a 6.61n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


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



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cholinesterase


(Equus caballus (Horse))		BDBM50393862
PNG
(CHEMBL2158118)
Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C30H35N5OS/c1-2-35(20-28(36)34-30-33-27(21-37-30)22-12-4-3-5-13-22)19-11-10-18-31-29-23-14-6-8-16-25(23)32-26-17-9-7-15-24(26)29/h3-6,8,12-14,16,21H,2,7,9-11,15,17-20H2,1H3,(H,31,32)(H,33,34,36)
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n/an/a 14.8n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50393866
PNG
(CHEMBL2158114)
Show SMILES Clc1ccc(cc1)-c1csc(NC(=O)CCC(=O)NCCCCNc2c3CCCCc3nc3ccccc23)n1
Show InChI InChI=1S/C30H32ClN5O2S/c31-21-13-11-20(12-14-21)26-19-39-30(35-26)36-28(38)16-15-27(37)32-17-5-6-18-33-29-22-7-1-3-9-24(22)34-25-10-4-2-8-23(25)29/h1,3,7,9,11-14,19H,2,4-6,8,10,15-18H2,(H,32,37)(H,33,34)(H,35,36,38)
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n/an/a 16.6n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50393856
PNG
(CHEMBL2158124)
Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C31H37N5OS/c1-2-36(21-18-29(37)35-31-34-28(22-38-31)23-12-4-3-5-13-23)20-11-10-19-32-30-24-14-6-8-16-26(24)33-27-17-9-7-15-25(27)30/h3-6,8,12-14,16,22H,2,7,9-11,15,17-21H2,1H3,(H,32,33)(H,34,35,37)
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n/an/a 18.2n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50393861
PNG
(CHEMBL2158119)
Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccc(OC)cc1
Show InChI InChI=1S/C31H37N5O2S/c1-3-36(20-29(37)35-31-34-28(21-39-31)22-14-16-23(38-2)17-15-22)19-9-8-18-32-30-24-10-4-6-12-26(24)33-27-13-7-5-11-25(27)30/h4,6,10,12,14-17,21H,3,5,7-9,11,13,18-20H2,1-2H3,(H,32,33)(H,34,35,37)
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n/an/a 20.4n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50384894
PNG
(CHEMBL2036262)
Show SMILES CC(=O)SCCC(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C24H32ClN3O2S/c1-17(29)31-15-12-23(30)26-13-6-2-3-7-14-27-24-19-8-4-5-9-21(19)28-22-16-18(25)10-11-20(22)24/h10-11,16H,2-9,12-15H2,1H3,(H,26,30)(H,27,28)
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n/an/a 42.7n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase using acetylcholine chloride as substrate incubated for 5 mins prior to substrate addition measured...

J Med Chem 55: 3588-92 (2012)


Article DOI: 10.1021/jm300124p
BindingDB Entry DOI: 10.7270/Q2QJ7JBD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50393854
PNG
(CHEMBL2158126)
Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H36ClN5OS/c1-2-37(20-17-29(38)36-31-35-28(21-39-31)22-13-15-23(32)16-14-22)19-8-7-18-33-30-24-9-3-5-11-26(24)34-27-12-6-4-10-25(27)30/h3,5,9,11,13-16,21H,2,4,6-8,10,12,17-20H2,1H3,(H,33,34)(H,35,36,38)
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n/an/a 45.7n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
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 64.6n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
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 64.6n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase using acetylcholine chloride as substrate incubated for 5 mins prior to substrate addition measured...

J Med Chem 55: 3588-92 (2012)


Article DOI: 10.1021/jm300124p
BindingDB Entry DOI: 10.7270/Q2QJ7JBD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50393868
PNG
(CHEMBL2158112)
Show SMILES O=C(CCC(=O)Nc1nc(cs1)-c1ccccc1)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H37N5O2S/c38-29(18-19-30(39)37-32-36-28(22-40-32)23-12-4-3-5-13-23)33-20-10-1-2-11-21-34-31-24-14-6-8-16-26(24)35-27-17-9-7-15-25(27)31/h3-6,8,12-14,16,22H,1-2,7,9-11,15,17-21H2,(H,33,38)(H,34,35)(H,36,37,39)
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n/an/a 72.4n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50393860
PNG
(CHEMBL2158120)
Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C30H34ClN5OS/c1-2-36(19-28(37)35-30-34-27(20-38-30)21-13-15-22(31)16-14-21)18-8-7-17-32-29-23-9-3-5-11-25(23)33-26-12-6-4-10-24(26)29/h3,5,9,11,13-16,20H,2,4,6-8,10,12,17-19H2,1H3,(H,32,33)(H,34,35,37)
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n/an/a 77.6n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50127334
PNG
(CHEMBL3628065)
Show SMILES [Br-].COc1ccc2[nH]cc(CCNC(=O)c3cc[n+](Cc4ccc(OC(=O)N(C)C)cc4)cc3)c2c1
Show InChI InChI=1S/C27H28N4O4.BrH/c1-30(2)27(33)35-22-6-4-19(5-7-22)18-31-14-11-20(12-15-31)26(32)28-13-10-21-17-29-25-9-8-23(34-3)16-24(21)25;/h4-9,11-12,14-17,29H,10,13,18H2,1-3H3;1H
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n/an/a 80n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50393853
PNG
(CHEMBL2158127)
Show SMILES CCN(CCCCCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C32H39N5OS/c1-2-37(22-30(38)36-32-35-29(23-39-32)24-14-6-5-7-15-24)21-13-4-3-12-20-33-31-25-16-8-10-18-27(25)34-28-19-11-9-17-26(28)31/h5-8,10,14-16,18,23H,2-4,9,11-13,17,19-22H2,1H3,(H,33,34)(H,35,36,38)
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n/an/a 81.3n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50384894
PNG
(CHEMBL2036262)
Show SMILES CC(=O)SCCC(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C24H32ClN3O2S/c1-17(29)31-15-12-23(30)26-13-6-2-3-7-14-27-24-19-8-4-5-9-21(19)28-22-16-18(25)10-11-20(22)24/h10-11,16H,2-9,12-15H2,1H3,(H,26,30)(H,27,28)
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n/an/a 91.2n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase using butyrylcholine chloride as substrate incubated for 5 mins prior to substrate addition measur...

J Med Chem 55: 3588-92 (2012)


Article DOI: 10.1021/jm300124p
BindingDB Entry DOI: 10.7270/Q2QJ7JBD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50393858
PNG
(CHEMBL2158122)
Show SMILES CCN(CCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccc(OC)cc1
Show InChI InChI=1S/C31H37N5O2S/c1-3-36(20-17-29(37)35-31-34-28(21-39-31)22-13-15-23(38-2)16-14-22)19-8-18-32-30-24-9-4-6-11-26(24)33-27-12-7-5-10-25(27)30/h4,6,9,11,13-16,21H,3,5,7-8,10,12,17-20H2,1-2H3,(H,32,33)(H,34,35,37)
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n/an/a 97.7n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50393864
PNG
(CHEMBL2158116)
Show SMILES CCN(CCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C29H33N5OS/c1-2-34(19-27(35)33-29-32-26(20-36-29)21-11-4-3-5-12-21)18-10-17-30-28-22-13-6-8-15-24(22)31-25-16-9-7-14-23(25)28/h3-6,8,11-13,15,20H,2,7,9-10,14,16-19H2,1H3,(H,30,31)(H,32,33,35)
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n/an/a 105n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50393856
PNG
(CHEMBL2158124)
Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C31H37N5OS/c1-2-36(21-18-29(37)35-31-34-28(22-38-31)23-12-4-3-5-13-23)20-11-10-19-32-30-24-14-6-8-16-26(24)33-27-17-9-7-15-25(27)30/h3-6,8,12-14,16,22H,2,7,9-11,15,17-21H2,1H3,(H,32,33)(H,34,35,37)
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n/an/a 110n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50127381
PNG
(CHEMBL3628067)
Show SMILES [Br-].COc1ccc2[nH]cc(CCNC(=O)\C=C\c3cc[n+](Cc4cccc(F)c4)cc3)c2c1
Show InChI InChI=1S/C26H24FN3O2.BrH/c1-32-23-6-7-25-24(16-23)21(17-29-25)9-12-28-26(31)8-5-19-10-13-30(14-11-19)18-20-3-2-4-22(27)15-20;/h2-8,10-11,13-17,29H,9,12,18H2,1H3;1H/b8-5+;
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n/an/a 110n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50393854
PNG
(CHEMBL2158126)
Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H36ClN5OS/c1-2-37(20-17-29(38)36-31-35-28(21-39-31)22-13-15-23(32)16-14-22)19-8-7-18-33-30-24-9-3-5-11-26(24)34-27-12-6-4-10-25(27)30/h3,5,9,11,13-16,21H,2,4,6-8,10,12,17-20H2,1H3,(H,33,34)(H,35,36,38)
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n/an/a 120n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50384893
PNG
(CHEMBL2036261)
Show SMILES SCCC(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C20H27N3OS/c24-19(11-14-25)21-12-5-6-13-22-20-15-7-1-3-9-17(15)23-18-10-4-2-8-16(18)20/h1,3,7,9,25H,2,4-6,8,10-14H2,(H,21,24)(H,22,23)
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n/an/a 129n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase using butyrylcholine chloride as substrate incubated for 5 mins prior to substrate addition measur...

J Med Chem 55: 3588-92 (2012)


Article DOI: 10.1021/jm300124p
BindingDB Entry DOI: 10.7270/Q2QJ7JBD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50384892
PNG
(CHEMBL2036260)
Show SMILES CC(=O)SCCC(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C22H29N3O2S/c1-16(26)28-15-12-21(27)23-13-6-7-14-24-22-17-8-2-4-10-19(17)25-20-11-5-3-9-18(20)22/h2,4,8,10H,3,5-7,9,11-15H2,1H3,(H,23,27)(H,24,25)
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n/an/a 155n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase using butyrylcholine chloride as substrate incubated for 5 mins prior to substrate addition measur...

J Med Chem 55: 3588-92 (2012)


Article DOI: 10.1021/jm300124p
BindingDB Entry DOI: 10.7270/Q2QJ7JBD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50393862
PNG
(CHEMBL2158118)
Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C30H35N5OS/c1-2-35(20-28(36)34-30-33-27(21-37-30)22-12-4-3-5-13-22)19-11-10-18-31-29-23-14-6-8-16-25(23)32-26-17-9-7-15-24(26)29/h3-6,8,12-14,16,21H,2,7,9-11,15,17-20H2,1H3,(H,31,32)(H,33,34,36)
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n/an/a 158n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50393852
PNG
(CHEMBL2158128)
Show SMILES CCN(CCCCCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccc(OC)cc1
Show InChI InChI=1S/C33H41N5O2S/c1-3-38(22-31(39)37-33-36-30(23-41-33)24-16-18-25(40-2)19-17-24)21-11-5-4-10-20-34-32-26-12-6-8-14-28(26)35-29-15-9-7-13-27(29)32/h6,8,12,14,16-19,23H,3-5,7,9-11,13,15,20-22H2,1-2H3,(H,34,35)(H,36,37,39)
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n/an/a 158n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50384890
PNG
(CHEMBL2036263)
Show SMILES SCCC(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C22H30ClN3OS/c23-16-9-10-18-20(15-16)26-19-8-4-3-7-17(19)22(18)25-13-6-2-1-5-12-24-21(27)11-14-28/h9-10,15,28H,1-8,11-14H2,(H,24,27)(H,25,26)
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n/an/a 178n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase using acetylcholine chloride as substrate incubated for 5 mins prior to substrate addition measured...

J Med Chem 55: 3588-92 (2012)


Article DOI: 10.1021/jm300124p
BindingDB Entry DOI: 10.7270/Q2QJ7JBD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50384890
PNG
(CHEMBL2036263)
Show SMILES SCCC(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C22H30ClN3OS/c23-16-9-10-18-20(15-16)26-19-8-4-3-7-17(19)22(18)25-13-6-2-1-5-12-24-21(27)11-14-28/h9-10,15,28H,1-8,11-14H2,(H,24,27)(H,25,26)
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n/an/a 178n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase using butyrylcholine chloride as substrate incubated for 5 mins prior to substrate addition measur...

J Med Chem 55: 3588-92 (2012)


Article DOI: 10.1021/jm300124p
BindingDB Entry DOI: 10.7270/Q2QJ7JBD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50384895
PNG
(CHEMBL2036259)
Show SMILES SCCC(=O)NCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C19H25N3OS/c23-18(10-13-24)20-11-5-12-21-19-14-6-1-3-8-16(14)22-17-9-4-2-7-15(17)19/h1,3,6,8,24H,2,4-5,7,9-13H2,(H,20,23)(H,21,22)
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n/an/a 182n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase using butyrylcholine chloride as substrate incubated for 5 mins prior to substrate addition measur...

J Med Chem 55: 3588-92 (2012)


Article DOI: 10.1021/jm300124p
BindingDB Entry DOI: 10.7270/Q2QJ7JBD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50127382
PNG
(CHEMBL3628183)
Show SMILES [Br-].COc1ccc2[nH]cc(CCNC(=O)\C=C\c3cc[n+](Cc4ccc(F)cc4)cc3)c2c1
Show InChI InChI=1S/C26H24FN3O2.BrH/c1-32-23-7-8-25-24(16-23)21(17-29-25)10-13-28-26(31)9-4-19-11-14-30(15-12-19)18-20-2-5-22(27)6-3-20;/h2-9,11-12,14-17,29H,10,13,18H2,1H3;1H/b9-4+;
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n/an/a 210n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50384891
PNG
(CHEMBL2036258)
Show SMILES CC(=O)SCCC(=O)NCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C21H27N3O2S/c1-15(25)27-14-11-20(26)22-12-6-13-23-21-16-7-2-4-9-18(16)24-19-10-5-3-8-17(19)21/h2,4,7,9H,3,5-6,8,10-14H2,1H3,(H,22,26)(H,23,24)
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n/an/a 229n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase using butyrylcholine chloride as substrate incubated for 5 mins prior to substrate addition measur...

J Med Chem 55: 3588-92 (2012)


Article DOI: 10.1021/jm300124p
BindingDB Entry DOI: 10.7270/Q2QJ7JBD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50127380
PNG
(CHEMBL3628066)
Show SMILES [Br-].COc1ccc2[nH]cc(CCNC(=O)\C=C\c3cc[n+](Cc4ccccc4F)cc3)c2c1
Show InChI InChI=1S/C26H24FN3O2.BrH/c1-32-22-7-8-25-23(16-22)20(17-29-25)10-13-28-26(31)9-6-19-11-14-30(15-12-19)18-21-4-2-3-5-24(21)27;/h2-9,11-12,14-17,29H,10,13,18H2,1H3;1H/b9-6+;
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n/an/a 260n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50393863
PNG
(CHEMBL2158117)
Show SMILES CCN(CCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccc(OC)cc1
Show InChI InChI=1S/C30H35N5O2S/c1-3-35(19-28(36)34-30-33-27(20-38-30)21-13-15-22(37-2)16-14-21)18-8-17-31-29-23-9-4-6-11-25(23)32-26-12-7-5-10-24(26)29/h4,6,9,11,13-16,20H,3,5,7-8,10,12,17-19H2,1-2H3,(H,31,32)(H,33,34,36)
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n/an/a 275n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50127274
PNG
(CHEMBL3628053)
Show SMILES [Br-].O=C(NCCc1c[nH]c2ccccc12)c1ccc[n+](Cc2ccccc2)c1
Show InChI InChI=1S/C23H21N3O.BrH/c27-23(24-13-12-19-15-25-22-11-5-4-10-21(19)22)20-9-6-14-26(17-20)16-18-7-2-1-3-8-18;/h1-11,14-15,17,25H,12-13,16H2;1H
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n/an/a 280n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50393867
PNG
(CHEMBL2158113)
Show SMILES O=C(CCCC(=O)Nc1nc(cs1)-c1ccccc1)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H35N5O2S/c37-28(17-10-18-29(38)36-31-35-27(21-39-31)22-11-2-1-3-12-22)32-19-8-9-20-33-30-23-13-4-6-15-25(23)34-26-16-7-5-14-24(26)30/h1-4,6,11-13,15,21H,5,7-10,14,16-20H2,(H,32,37)(H,33,34)(H,35,36,38)
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n/an/a 282n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50393855
PNG
(CHEMBL2158125)
Show SMILES CCN(CCCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccc(OC)cc1
Show InChI InChI=1S/C32H39N5O2S/c1-3-37(21-18-30(38)36-32-35-29(22-40-32)23-14-16-24(39-2)17-15-23)20-9-8-19-33-31-25-10-4-6-12-27(25)34-28-13-7-5-11-26(28)31/h4,6,10,12,14-17,22H,3,5,7-9,11,13,18-21H2,1-2H3,(H,33,34)(H,35,36,38)
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n/an/a 288n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50393859
PNG
(CHEMBL2158121)
Show SMILES CCN(CCCNc1c2CCCCc2nc2ccccc12)CCC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C30H35N5OS/c1-2-35(20-17-28(36)34-30-33-27(21-37-30)22-11-4-3-5-12-22)19-10-18-31-29-23-13-6-8-15-25(23)32-26-16-9-7-14-24(26)29/h3-6,8,11-13,15,21H,2,7,9-10,14,16-20H2,1H3,(H,31,32)(H,33,34,36)
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n/an/a 324n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50127275
PNG
(CHEMBL3628054)
Show SMILES [Br-].Fc1ccccc1C[n+]1cccc(c1)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H20FN3O.BrH/c24-21-9-3-1-6-18(21)15-27-13-5-7-19(16-27)23(28)25-12-11-17-14-26-22-10-4-2-8-20(17)22;/h1-10,13-14,16,26H,11-12,15H2;1H
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n/an/a 340n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's met...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50393865
PNG
(CHEMBL2158115)
Show SMILES O=C(CCC(=O)Nc1nc2CCCCc2s1)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H35N5O2S/c34-25(15-16-26(35)33-28-32-23-13-5-6-14-24(23)36-28)29-17-7-8-18-30-27-19-9-1-3-11-21(19)31-22-12-4-2-10-20(22)27/h1,3,9,11H,2,4-8,10,12-18H2,(H,29,34)(H,30,31)(H,32,33,35)
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n/an/a 363n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50393869
PNG
(CHEMBL2158111)
Show SMILES O=C(CCCC(=O)Nc1nc(cs1)-c1ccccc1)NCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H33N5O2S/c36-27(16-8-17-28(37)35-30-34-26(20-38-30)21-10-2-1-3-11-21)31-18-9-19-32-29-22-12-4-6-14-24(22)33-25-15-7-5-13-23(25)29/h1-4,6,10-12,14,20H,5,7-9,13,15-19H2,(H,31,36)(H,32,33)(H,34,35,37)
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n/an/a 380n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50127393
PNG
(CHEMBL3628185)
Show SMILES [Br-].COc1ccc2[nH]cc(CCNC(=O)CCc3cc[n+](Cc4cccc(F)c4)cc3)c2c1
Show InChI InChI=1S/C26H26FN3O2.BrH/c1-32-23-6-7-25-24(16-23)21(17-29-25)9-12-28-26(31)8-5-19-10-13-30(14-11-19)18-20-3-2-4-22(27)15-20;/h2-4,6-7,10-11,13-17,29H,5,8-9,12,18H2,1H3;1H
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n/an/a 440n/an/an/an/an/an/a



1st Affiliated Hospital of Guangxi Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition by Ellman's m...

Eur J Med Chem 103: 302-11 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.052
BindingDB Entry DOI: 10.7270/Q21V5GT0
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50393853
PNG
(CHEMBL2158127)
Show SMILES CCN(CCCCCCNc1c2CCCCc2nc2ccccc12)CC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C32H39N5OS/c1-2-37(22-30(38)36-32-35-29(23-39-32)24-14-6-5-7-15-24)21-13-4-3-12-20-33-31-25-16-8-10-18-27(25)34-28-19-11-9-17-26(28)31/h5-8,10,14-16,18,23H,2-4,9,11-13,17,19-22H2,1H3,(H,33,34)(H,35,36,38)
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n/an/a 468n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50393870
PNG
(CHEMBL2158110)
Show SMILES O=C(CCC(=O)Nc1nc(cs1)-c1ccccc1)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H33N5O2S/c36-27(16-17-28(37)35-30-34-26(20-38-30)21-10-2-1-3-11-21)31-18-8-9-19-32-29-22-12-4-6-14-24(22)33-25-15-7-5-13-23(25)29/h1-4,6,10-12,14,20H,5,7-9,13,15-19H2,(H,31,36)(H,32,33)(H,34,35,37)
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n/an/a 490n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate incubated for 5 mins before substrate addition measured at 3 min interval ...

Bioorg Med Chem 20: 6513-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.040
BindingDB Entry DOI: 10.7270/Q20Z74DZ
More data for this
Ligand-Target Pair
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