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PubMed code 25678013

Compile data set for download or QSAR
Found 63 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


(Rattus norvegicus (rat))		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 15n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103488
PNG
(CHEMBL3398323)
Show SMILES CCN(CCCCNC(=O)c1cc(=O)c2c(O)cccc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C24H28N2O5/c1-3-26(16-17-9-4-5-11-20(17)30-2)14-7-6-13-25-24(29)22-15-19(28)23-18(27)10-8-12-21(23)31-22/h4-5,8-12,15,27H,3,6-7,13-14,16H2,1-2H3,(H,25,29)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


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

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103489
PNG
(CHEMBL3398324)
Show SMILES CCN(CCCCCCNC(=O)c1cc(=O)c2c(O)cccc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C26H32N2O5/c1-3-28(18-19-11-6-7-13-22(19)32-2)16-9-5-4-8-15-27-26(31)24-17-21(30)25-20(29)12-10-14-23(25)33-24/h6-7,10-14,17,29H,3-5,8-9,15-16,18H2,1-2H3,(H,27,31)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103473
PNG
(CHEMBL3398313)
Show SMILES CCN(CCCCCCNC(=O)c1cc(=O)c2c(O)cc(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C27H34N2O6/c1-4-29(18-19-11-7-8-12-23(19)34-3)14-10-6-5-9-13-28-27(32)25-17-22(31)26-21(30)15-20(33-2)16-24(26)35-25/h7-8,11-12,15-17,30H,4-6,9-10,13-14,18H2,1-3H3,(H,28,32)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103470
PNG
(CHEMBL3398310)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCCCN(C)Cc1ccccc1
Show InChI InChI=1S/C25H30N2O5/c1-27(17-18-10-6-5-7-11-18)13-9-4-3-8-12-26-25(30)23-16-21(29)24-20(28)14-19(31-2)15-22(24)32-23/h5-7,10-11,14-16,28H,3-4,8-9,12-13,17H2,1-2H3,(H,26,30)
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Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103466
PNG
(CHEMBL3398306)
Show SMILES CCN(CCCCNC(=O)c1cc(=O)c2c(O)cc(OC)cc2o1)Cc1ccccc1N(C)C
Show InChI InChI=1S/C26H33N3O5/c1-5-29(17-18-10-6-7-11-20(18)28(2)3)13-9-8-12-27-26(32)24-16-22(31)25-21(30)14-19(33-4)15-23(25)34-24/h6-7,10-11,14-16,30H,5,8-9,12-13,17H2,1-4H3,(H,27,32)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103465
PNG
(CHEMBL3398305)
Show SMILES CCN(CCCCNC(=O)c1cc(=O)c2c(O)cc(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C25H30N2O6/c1-4-27(16-17-9-5-6-10-21(17)32-3)12-8-7-11-26-25(30)23-15-20(29)24-19(28)13-18(31-2)14-22(24)33-23/h5-6,9-10,13-15,28H,4,7-8,11-12,16H2,1-3H3,(H,26,30)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103486
PNG
(CHEMBL3398322)
Show SMILES CCN(CCCNC(=O)c1cc(=O)c2c(O)cccc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C23H26N2O5/c1-3-25(15-16-8-4-5-10-19(16)29-2)13-7-12-24-23(28)21-14-18(27)22-17(26)9-6-11-20(22)30-21/h4-6,8-11,14,26H,3,7,12-13,15H2,1-2H3,(H,24,28)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103489
PNG
(CHEMBL3398324)
Show SMILES CCN(CCCCCCNC(=O)c1cc(=O)c2c(O)cccc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C26H32N2O5/c1-3-28(18-19-11-6-7-13-22(19)32-2)16-9-5-4-8-15-27-26(31)24-17-21(30)25-20(29)12-10-14-23(25)33-24/h6-7,10-14,17,29H,3-5,8-9,15-16,18H2,1-2H3,(H,27,31)
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n/an/a 530n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103488
PNG
(CHEMBL3398323)
Show SMILES CCN(CCCCNC(=O)c1cc(=O)c2c(O)cccc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C24H28N2O5/c1-3-26(16-17-9-4-5-11-20(17)30-2)14-7-6-13-25-24(29)22-15-19(28)23-18(27)10-8-12-21(23)31-22/h4-5,8-12,15,27H,3,6-7,13-14,16H2,1-2H3,(H,25,29)
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n/an/a 550n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103473
PNG
(CHEMBL3398313)
Show SMILES CCN(CCCCCCNC(=O)c1cc(=O)c2c(O)cc(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C27H34N2O6/c1-4-29(18-19-11-7-8-12-23(19)34-3)14-10-6-5-9-13-28-27(32)25-17-22(31)26-21(30)15-20(33-2)16-24(26)35-25/h7-8,11-12,15-17,30H,4-6,9-10,13-14,18H2,1-3H3,(H,28,32)
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n/an/a 560n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103472
PNG
(CHEMBL3398312)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCCCN(C)Cc1ccccc1OC
Show InChI InChI=1S/C26H32N2O6/c1-28(17-18-10-6-7-11-22(18)33-3)13-9-5-4-8-12-27-26(31)24-16-21(30)25-20(29)14-19(32-2)15-23(25)34-24/h6-7,10-11,14-16,29H,4-5,8-9,12-13,17H2,1-3H3,(H,27,31)
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n/an/a 580n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103480
PNG
(CHEMBL3398316)
Show SMILES CCN(CCCCCCNC(=O)c1cc(=O)c2c(O)cc(O)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C26H32N2O6/c1-3-28(17-18-10-6-7-11-22(18)33-2)13-9-5-4-8-12-27-26(32)24-16-21(31)25-20(30)14-19(29)15-23(25)34-24/h6-7,10-11,14-16,29-30H,3-5,8-9,12-13,17H2,1-2H3,(H,27,32)
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n/an/a 870n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103461
PNG
(CHEMBL3398301)
Show SMILES CCN(CCCNC(=O)c1cc(=O)c2c(O)cc(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C24H28N2O6/c1-4-26(15-16-8-5-6-9-20(16)31-3)11-7-10-25-24(29)22-14-19(28)23-18(27)12-17(30-2)13-21(23)32-22/h5-6,8-9,12-14,27H,4,7,10-11,15H2,1-3H3,(H,25,29)
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n/an/a 880n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103481
PNG
(CHEMBL3398317)
Show SMILES CCN(CCCCNC(=O)c1cc(=O)c2c(O)cc(cc2o1)N(C)C)Cc1ccccc1OC
Show InChI InChI=1S/C26H33N3O5/c1-5-29(17-18-10-6-7-11-22(18)33-4)13-9-8-12-27-26(32)24-16-21(31)25-20(30)14-19(28(2)3)15-23(25)34-24/h6-7,10-11,14-16,30H,5,8-9,12-13,17H2,1-4H3,(H,27,32)
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n/an/a 910n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103466
PNG
(CHEMBL3398306)
Show SMILES CCN(CCCCNC(=O)c1cc(=O)c2c(O)cc(OC)cc2o1)Cc1ccccc1N(C)C
Show InChI InChI=1S/C26H33N3O5/c1-5-29(17-18-10-6-7-11-20(18)28(2)3)13-9-8-12-27-26(32)24-16-22(31)25-21(30)14-19(33-4)15-23(25)34-24/h6-7,10-11,14-16,30H,5,8-9,12-13,17H2,1-4H3,(H,27,32)
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n/an/a 920n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103479
PNG
(CHEMBL3398315)
Show SMILES CCN(CCCCNC(=O)c1cc(=O)c2c(O)cc(O)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C24H28N2O6/c1-3-26(15-16-8-4-5-9-20(16)31-2)11-7-6-10-25-24(30)22-14-19(29)23-18(28)12-17(27)13-21(23)32-22/h4-5,8-9,12-14,27-28H,3,6-7,10-11,15H2,1-2H3,(H,25,30)
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n/an/a 1.11E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103465
PNG
(CHEMBL3398305)
Show SMILES CCN(CCCCNC(=O)c1cc(=O)c2c(O)cc(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C25H30N2O6/c1-4-27(16-17-9-5-6-10-21(17)32-3)12-8-7-11-26-25(30)23-15-20(29)24-19(28)13-18(31-2)14-22(24)33-23/h5-6,9-10,13-15,28H,4,7-8,11-12,16H2,1-3H3,(H,26,30)
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n/an/a 1.16E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103485
PNG
(CHEMBL3398321)
Show SMILES COc1ccccc1CN(C)CCCCNC(=O)c1cc(=O)c2c(O)cccc2o1
Show InChI InChI=1S/C23H26N2O5/c1-25(15-16-8-3-4-10-19(16)29-2)13-6-5-12-24-23(28)21-14-18(27)22-17(26)9-7-11-20(22)30-21/h3-4,7-11,14,26H,5-6,12-13,15H2,1-2H3,(H,24,28)
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n/an/a 1.37E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103471
PNG
(CHEMBL3398311)
Show SMILES CCN(CCCCCCNC(=O)c1cc(=O)c2c(O)cc(OC)cc2o1)Cc1ccccc1
Show InChI InChI=1S/C26H32N2O5/c1-3-28(18-19-11-7-6-8-12-19)14-10-5-4-9-13-27-26(31)24-17-22(30)25-21(29)15-20(32-2)16-23(25)33-24/h6-8,11-12,15-17,29H,3-5,9-10,13-14,18H2,1-2H3,(H,27,31)
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n/an/a 1.38E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103482
PNG
(CHEMBL3398318)
Show SMILES CCN(CCCCNC(=O)c1cc(=O)c2c(O)cc(cc2o1)N(C)C)Cc1ccccc1N(C)C
Show InChI InChI=1S/C27H36N4O4/c1-6-31(18-19-11-7-8-12-21(19)30(4)5)14-10-9-13-28-27(34)25-17-23(33)26-22(32)15-20(29(2)3)16-24(26)35-25/h7-8,11-12,15-17,32H,6,9-10,13-14,18H2,1-5H3,(H,28,34)
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n/an/a 1.39E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103480
PNG
(CHEMBL3398316)
Show SMILES CCN(CCCCCCNC(=O)c1cc(=O)c2c(O)cc(O)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C26H32N2O6/c1-3-28(17-18-10-6-7-11-22(18)33-2)13-9-5-4-8-12-27-26(32)24-16-21(31)25-20(30)14-19(29)15-23(25)34-24/h6-7,10-11,14-16,29-30H,3-5,8-9,12-13,17H2,1-2H3,(H,27,32)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103463
PNG
(CHEMBL3398303)
Show SMILES CCN(CCCCNC(=O)c1cc(=O)c2c(O)cc(OC)cc2o1)Cc1ccccc1
Show InChI InChI=1S/C24H28N2O5/c1-3-26(16-17-9-5-4-6-10-17)12-8-7-11-25-24(29)22-15-20(28)23-19(27)13-18(30-2)14-21(23)31-22/h4-6,9-10,13-15,27H,3,7-8,11-12,16H2,1-2H3,(H,25,29)
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n/an/a 1.45E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103472
PNG
(CHEMBL3398312)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCCCN(C)Cc1ccccc1OC
Show InChI InChI=1S/C26H32N2O6/c1-28(17-18-10-6-7-11-22(18)33-3)13-9-5-4-8-12-27-26(31)24-16-21(30)25-20(29)14-19(32-2)15-23(25)34-24/h6-7,10-11,14-16,29H,4-5,8-9,12-13,17H2,1-3H3,(H,27,31)
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n/an/a 1.59E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103471
PNG
(CHEMBL3398311)
Show SMILES CCN(CCCCCCNC(=O)c1cc(=O)c2c(O)cc(OC)cc2o1)Cc1ccccc1
Show InChI InChI=1S/C26H32N2O5/c1-3-28(18-19-11-7-6-8-12-19)14-10-5-4-9-13-27-26(31)24-17-22(30)25-21(29)15-20(32-2)16-23(25)33-24/h6-8,11-12,15-17,29H,3-5,9-10,13-14,18H2,1-2H3,(H,27,31)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103463
PNG
(CHEMBL3398303)
Show SMILES CCN(CCCCNC(=O)c1cc(=O)c2c(O)cc(OC)cc2o1)Cc1ccccc1
Show InChI InChI=1S/C24H28N2O5/c1-3-26(16-17-9-5-4-6-10-17)12-8-7-11-25-24(29)22-15-20(28)23-19(27)13-18(30-2)14-21(23)31-22/h4-6,9-10,13-15,27H,3,7-8,11-12,16H2,1-2H3,(H,25,29)
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n/an/a 1.81E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103461
PNG
(CHEMBL3398301)
Show SMILES CCN(CCCNC(=O)c1cc(=O)c2c(O)cc(OC)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C24H28N2O6/c1-4-26(15-16-8-5-6-9-20(16)31-3)11-7-10-25-24(29)22-14-19(28)23-18(27)12-17(30-2)13-21(23)32-22/h5-6,8-9,12-14,27H,4,7,10-11,15H2,1-3H3,(H,25,29)
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n/an/a 1.85E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103464
PNG
(CHEMBL3398304)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCN(C)Cc1ccccc1OC
Show InChI InChI=1S/C24H28N2O6/c1-26(15-16-8-4-5-9-20(16)31-3)11-7-6-10-25-24(29)22-14-19(28)23-18(27)12-17(30-2)13-21(23)32-22/h4-5,8-9,12-14,27H,6-7,10-11,15H2,1-3H3,(H,25,29)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103470
PNG
(CHEMBL3398310)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCCCN(C)Cc1ccccc1
Show InChI InChI=1S/C25H30N2O5/c1-27(17-18-10-6-5-7-11-18)13-9-4-3-8-12-26-25(30)23-16-21(29)24-20(28)14-19(31-2)15-22(24)32-23/h5-7,10-11,14-16,28H,3-4,8-9,12-13,17H2,1-2H3,(H,26,30)
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n/an/a 3.03E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103458
PNG
(CHEMBL3398298)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCN(C)Cc1ccccc1
Show InChI InChI=1S/C22H24N2O5/c1-24(14-15-7-4-3-5-8-15)10-6-9-23-22(27)20-13-18(26)21-17(25)11-16(28-2)12-19(21)29-20/h3-5,7-8,11-13,25H,6,9-10,14H2,1-2H3,(H,23,27)
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n/an/a 3.12E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103485
PNG
(CHEMBL3398321)
Show SMILES COc1ccccc1CN(C)CCCCNC(=O)c1cc(=O)c2c(O)cccc2o1
Show InChI InChI=1S/C23H26N2O5/c1-25(15-16-8-3-4-10-19(16)29-2)13-6-5-12-24-23(28)21-14-18(27)22-17(26)9-7-11-20(22)30-21/h3-4,7-11,14,26H,5-6,12-13,15H2,1-2H3,(H,24,28)
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n/an/a 3.29E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103464
PNG
(CHEMBL3398304)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCN(C)Cc1ccccc1OC
Show InChI InChI=1S/C24H28N2O6/c1-26(15-16-8-4-5-9-20(16)31-3)11-7-6-10-25-24(29)22-14-19(28)23-18(27)12-17(30-2)13-21(23)32-22/h4-5,8-9,12-14,27H,6-7,10-11,15H2,1-3H3,(H,25,29)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103482
PNG
(CHEMBL3398318)
Show SMILES CCN(CCCCNC(=O)c1cc(=O)c2c(O)cc(cc2o1)N(C)C)Cc1ccccc1N(C)C
Show InChI InChI=1S/C27H36N4O4/c1-6-31(18-19-11-7-8-12-21(19)30(4)5)14-10-9-13-28-27(34)25-17-23(33)26-22(32)15-20(29(2)3)16-24(26)35-25/h7-8,11-12,15-17,32H,6,9-10,13-14,18H2,1-5H3,(H,28,34)
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n/an/a 3.53E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103460
PNG
(CHEMBL3398300)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCN(C)Cc1ccccc1OC
Show InChI InChI=1S/C23H26N2O6/c1-25(14-15-7-4-5-8-19(15)30-3)10-6-9-24-23(28)21-13-18(27)22-17(26)11-16(29-2)12-20(22)31-21/h4-5,7-8,11-13,26H,6,9-10,14H2,1-3H3,(H,24,28)
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n/an/a 4.01E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103481
PNG
(CHEMBL3398317)
Show SMILES CCN(CCCCNC(=O)c1cc(=O)c2c(O)cc(cc2o1)N(C)C)Cc1ccccc1OC
Show InChI InChI=1S/C26H33N3O5/c1-5-29(17-18-10-6-7-11-22(18)33-4)13-9-8-12-27-26(32)24-16-21(31)25-20(30)14-19(28(2)3)15-23(25)34-24/h6-7,10-11,14-16,30H,5,8-9,12-13,17H2,1-4H3,(H,27,32)
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n/an/a 4.02E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103462
PNG
(CHEMBL3398302)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCN(C)Cc1ccccc1
Show InChI InChI=1S/C23H26N2O5/c1-25(15-16-8-4-3-5-9-16)11-7-6-10-24-23(28)21-14-19(27)22-18(26)12-17(29-2)13-20(22)30-21/h3-5,8-9,12-14,26H,6-7,10-11,15H2,1-2H3,(H,24,28)
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n/an/a 5.86E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103474
PNG
(CHEMBL3398314)
Show SMILES CCN(CCCNC(=O)c1cc(=O)c2c(O)cc(O)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C23H26N2O6/c1-3-25(14-15-7-4-5-8-19(15)30-2)10-6-9-24-23(29)21-13-18(28)22-17(27)11-16(26)12-20(22)31-21/h4-5,7-8,11-13,26-27H,3,6,9-10,14H2,1-2H3,(H,24,29)
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n/an/a 6.85E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103467
PNG
(CHEMBL3398307)
Show SMILES CCN(CCCCNC(=O)c1cc(=O)c2c(O)cc(OC)cc2o1)Cc1ccc(cc1)N(C)C
Show InChI InChI=1S/C26H33N3O5/c1-5-29(17-18-8-10-19(11-9-18)28(2)3)13-7-6-12-27-26(32)24-16-22(31)25-21(30)14-20(33-4)15-23(25)34-24/h8-11,14-16,30H,5-7,12-13,17H2,1-4H3,(H,27,32)
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n/an/a 7.45E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103462
PNG
(CHEMBL3398302)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCN(C)Cc1ccccc1
Show InChI InChI=1S/C23H26N2O5/c1-25(15-16-8-4-3-5-9-16)11-7-6-10-24-23(28)21-14-19(27)22-18(26)12-17(29-2)13-20(22)30-21/h3-5,8-9,12-14,26H,6-7,10-11,15H2,1-2H3,(H,24,28)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103459
PNG
(CHEMBL3398299)
Show SMILES CCN(CCCNC(=O)c1cc(=O)c2c(O)cc(OC)cc2o1)Cc1ccccc1
Show InChI InChI=1S/C23H26N2O5/c1-3-25(15-16-8-5-4-6-9-16)11-7-10-24-23(28)21-14-19(27)22-18(26)12-17(29-2)13-20(22)30-21/h4-6,8-9,12-14,26H,3,7,10-11,15H2,1-2H3,(H,24,28)
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n/an/a 7.94E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103467
PNG
(CHEMBL3398307)
Show SMILES CCN(CCCCNC(=O)c1cc(=O)c2c(O)cc(OC)cc2o1)Cc1ccc(cc1)N(C)C
Show InChI InChI=1S/C26H33N3O5/c1-5-29(17-18-8-10-19(11-9-18)28(2)3)13-7-6-12-27-26(32)24-16-22(31)25-21(30)14-20(33-4)15-23(25)34-24/h8-11,14-16,30H,5-7,12-13,17H2,1-4H3,(H,27,32)
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n/an/a 9.05E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103484
PNG
(CHEMBL3398320)
Show SMILES COc1ccccc1CN(C)CCCNC(=O)c1cc(=O)c2c(O)cccc2o1
Show InChI InChI=1S/C22H24N2O5/c1-24(14-15-7-3-4-9-18(15)28-2)12-6-11-23-22(27)20-13-17(26)21-16(25)8-5-10-19(21)29-20/h3-5,7-10,13,25H,6,11-12,14H2,1-2H3,(H,23,27)
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n/an/a 9.51E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103460
PNG
(CHEMBL3398300)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCN(C)Cc1ccccc1OC
Show InChI InChI=1S/C23H26N2O6/c1-25(14-15-7-4-5-8-19(15)30-3)10-6-9-24-23(28)21-13-18(27)22-17(26)11-16(29-2)12-20(22)31-21/h4-5,7-8,11-13,26H,6,9-10,14H2,1-3H3,(H,24,28)
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n/an/a 9.80E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103459
PNG
(CHEMBL3398299)
Show SMILES CCN(CCCNC(=O)c1cc(=O)c2c(O)cc(OC)cc2o1)Cc1ccccc1
Show InChI InChI=1S/C23H26N2O5/c1-3-25(15-16-8-5-4-6-9-16)11-7-10-24-23(28)21-14-19(27)22-18(26)12-17(29-2)13-20(22)30-21/h4-6,8-9,12-14,26H,3,7,10-11,15H2,1-2H3,(H,24,28)
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n/an/a 1.12E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103468
PNG
(CHEMBL3398308)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCN(CC#C)Cc1ccccc1OC
Show InChI InChI=1S/C26H28N2O6/c1-4-12-28(17-18-9-5-6-10-22(18)33-3)13-8-7-11-27-26(31)24-16-21(30)25-20(29)14-19(32-2)15-23(25)34-24/h1,5-6,9-10,14-16,29H,7-8,11-13,17H2,2-3H3,(H,27,31)
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n/an/a 1.36E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103486
PNG
(CHEMBL3398322)
Show SMILES CCN(CCCNC(=O)c1cc(=O)c2c(O)cccc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C23H26N2O5/c1-3-25(15-16-8-4-5-10-19(16)29-2)13-7-12-24-23(28)21-14-18(27)22-17(26)9-6-11-20(22)30-21/h4-6,8-11,14,26H,3,7,12-13,15H2,1-2H3,(H,24,28)
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n/an/a 1.39E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103458
PNG
(CHEMBL3398298)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCN(C)Cc1ccccc1
Show InChI InChI=1S/C22H24N2O5/c1-24(14-15-7-4-3-5-8-15)10-6-9-23-22(27)20-13-18(26)21-17(25)11-16(28-2)12-19(21)29-20/h3-5,7-8,11-13,25H,6,9-10,14H2,1-2H3,(H,23,27)
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n/an/a 1.53E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103483
PNG
(CHEMBL3398319)
Show SMILES CN(CCCNC(=O)c1cc(=O)c2c(O)cccc2o1)Cc1ccccc1
Show InChI InChI=1S/C21H22N2O4/c1-23(14-15-7-3-2-4-8-15)12-6-11-22-21(26)19-13-17(25)20-16(24)9-5-10-18(20)27-19/h2-5,7-10,13,24H,6,11-12,14H2,1H3,(H,22,26)
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n/an/a 1.96E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103483
PNG
(CHEMBL3398319)
Show SMILES CN(CCCNC(=O)c1cc(=O)c2c(O)cccc2o1)Cc1ccccc1
Show InChI InChI=1S/C21H22N2O4/c1-23(14-15-7-3-2-4-8-15)12-6-11-22-21(26)19-13-17(25)20-16(24)9-5-10-18(20)27-19/h2-5,7-10,13,24H,6,11-12,14H2,1H3,(H,22,26)
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n/an/a 2.44E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103479
PNG
(CHEMBL3398315)
Show SMILES CCN(CCCCNC(=O)c1cc(=O)c2c(O)cc(O)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C24H28N2O6/c1-3-26(15-16-8-4-5-9-20(16)31-2)11-7-6-10-25-24(30)22-14-19(29)23-18(28)12-17(27)13-21(23)32-22/h4-5,8-9,12-14,27-28H,3,6-7,10-11,15H2,1-2H3,(H,25,30)
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n/an/a 3.62E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103474
PNG
(CHEMBL3398314)
Show SMILES CCN(CCCNC(=O)c1cc(=O)c2c(O)cc(O)cc2o1)Cc1ccccc1OC
Show InChI InChI=1S/C23H26N2O6/c1-3-25(14-15-7-4-5-8-19(15)30-2)10-6-9-24-23(29)21-13-18(28)22-17(27)11-16(26)12-20(22)31-21/h4-5,7-8,11-13,26-27H,3,6,9-10,14H2,1-2H3,(H,24,29)
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n/an/a 4.98E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103468
PNG
(CHEMBL3398308)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCN(CC#C)Cc1ccccc1OC
Show InChI InChI=1S/C26H28N2O6/c1-4-12-28(17-18-9-5-6-10-22(18)33-3)13-8-7-11-27-26(31)24-16-21(30)25-20(29)14-19(32-2)15-23(25)34-24/h1,5-6,9-10,14-16,29H,7-8,11-13,17H2,2-3H3,(H,27,31)
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n/an/a 7.30E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103456
PNG
(CHEMBL3398296)
Show SMILES CN(C)c1cc(O)c2c(c1)oc(cc2=O)C(O)=O
Show InChI InChI=1S/C12H11NO5/c1-13(2)6-3-7(14)11-8(15)5-10(12(16)17)18-9(11)4-6/h3-5,14H,1-2H3,(H,16,17)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103457
PNG
(CHEMBL3398297)
Show SMILES CCOC(=O)c1cc(=O)c2c(O)cccc2o1
Show InChI InChI=1S/C12H10O5/c1-2-16-12(15)10-6-8(14)11-7(13)4-3-5-9(11)17-10/h3-6,13H,2H2,1H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103490
PNG
(CHEMBL3398295)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)C(O)=O
Show InChI InChI=1S/C11H8O6/c1-16-5-2-6(12)10-7(13)4-9(11(14)15)17-8(10)3-5/h2-4,12H,1H3,(H,14,15)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103469
PNG
(CHEMBL3398309)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCN1CCOc2ccccc2C1
Show InChI InChI=1S/C24H26N2O6/c1-30-17-12-18(27)23-19(28)14-22(32-21(23)13-17)24(29)25-8-4-5-9-26-10-11-31-20-7-3-2-6-16(20)15-26/h2-3,6-7,12-14,27H,4-5,8-11,15H2,1H3,(H,25,29)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103456
PNG
(CHEMBL3398296)
Show SMILES CN(C)c1cc(O)c2c(c1)oc(cc2=O)C(O)=O
Show InChI InChI=1S/C12H11NO5/c1-13(2)6-3-7(14)11-8(15)5-10(12(16)17)18-9(11)4-6/h3-5,14H,1-2H3,(H,16,17)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103455
PNG
(CHEMBL443869)
Show SMILES OC(=O)c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C10H6O6/c11-4-1-5(12)9-6(13)3-8(10(14)15)16-7(9)2-4/h1-3,11-12H,(H,14,15)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103469
PNG
(CHEMBL3398309)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCN1CCOc2ccccc2C1
Show InChI InChI=1S/C24H26N2O6/c1-30-17-12-18(27)23-19(28)14-22(32-21(23)13-17)24(29)25-8-4-5-9-26-10-11-31-20-7-3-2-6-16(20)15-26/h2-3,6-7,12-14,27H,4-5,8-11,15H2,1H3,(H,25,29)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103490
PNG
(CHEMBL3398295)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)C(O)=O
Show InChI InChI=1S/C11H8O6/c1-16-5-2-6(12)10-7(13)4-9(11(14)15)17-8(10)3-5/h2-4,12H,1H3,(H,14,15)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50103457
PNG
(CHEMBL3398297)
Show SMILES CCOC(=O)c1cc(=O)c2c(O)cccc2o1
Show InChI InChI=1S/C12H10O5/c1-2-16-12(15)10-6-8(14)11-7(13)4-3-5-9(11)17-10/h3-6,13H,2H2,1H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE from rat cortex homogenate using acetylthiocholine iodide as substrate after 15 mins by Ellman method

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50103455
PNG
(CHEMBL443869)
Show SMILES OC(=O)c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C10H6O6/c11-4-1-5(12)9-6(13)3-8(10(14)15)16-7(9)2-4/h1-3,11-12H,(H,14,15)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


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

Bioorg Med Chem 23: 911-23 (2015)


Article DOI: 10.1016/j.bmc.2015.01.042
BindingDB Entry DOI: 10.7270/Q2BG2QS9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%