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Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50034161   
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))
BDBM50358089
PNG
(CHEMBL1915203)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCc1ccccc1C
Show InChI InChI=1S/C28H26N2O3/c1-18-5-3-4-6-19(18)9-11-29-28-23-16-30-12-10-21-14-26-27(33-17-32-26)15-22(21)24(30)13-20(23)7-8-25(28)31-2/h3-8,13-16H,9-12,17H2,1-2H3/p+1/b29-28-
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n/an/a 27n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
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 41n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50358090
PNG
(CHEMBL1915204)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCc1cccc(C)c1
Show InChI InChI=1S/C28H26N2O3/c1-18-4-3-5-19(12-18)8-10-29-28-23-16-30-11-9-21-14-26-27(33-17-32-26)15-22(21)24(30)13-20(23)6-7-25(28)31-2/h3-7,12-16H,8-11,17H2,1-2H3/p+1/b29-28-
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n/an/a 91n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50358093
PNG
(CHEMBL1915207)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H22Cl2N2O3/c1-32-24-5-3-17-10-23-20-13-26-25(33-15-34-26)11-18(20)7-9-31(23)14-21(17)27(24)30-8-6-16-2-4-19(28)12-22(16)29/h2-5,10-14H,6-9,15H2,1H3/p+1/b30-27-
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50358092
PNG
(CHEMBL1915206)
Show SMILES COc1ccc(CC\[NH+]=c2/c(OC)ccc3cc4-c5cc6OCOc6cc5CCn4cc23)cc1OC
Show InChI InChI=1S/C29H28N2O5/c1-32-24-6-4-18(12-26(24)34-3)8-10-30-29-22-16-31-11-9-20-14-27-28(36-17-35-27)15-21(20)23(31)13-19(22)5-7-25(29)33-2/h4-7,12-16H,8-11,17H2,1-3H3/p+1/b30-29-
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50358081
PNG
(CHEMBL541672)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCc1ccccc1
Show InChI InChI=1S/C27H24N2O3/c1-30-24-8-7-19-13-23-21-15-26-25(31-17-32-26)14-20(21)10-12-29(23)16-22(19)27(24)28-11-9-18-5-3-2-4-6-18/h2-8,13-16H,9-12,17H2,1H3/p+1/b28-27-
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n/an/a 209n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50358074
PNG
(CHEMBL1915191)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCCOc1ccccc1
Show InChI InChI=1S/C28H26N2O4/c1-31-25-9-8-19-14-24-22-16-27-26(33-18-34-27)15-20(22)10-12-30(24)17-23(19)28(25)29-11-5-13-32-21-6-3-2-4-7-21/h2-4,6-9,14-17H,5,10-13,18H2,1H3/p+1/b29-28-
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n/an/a 216n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50358087
PNG
(CHEMBL1915201)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCc1ccc(F)cc1
Show InChI InChI=1S/C27H23FN2O3/c1-31-24-7-4-18-12-23-21-14-26-25(32-16-33-26)13-19(21)9-11-30(23)15-22(18)27(24)29-10-8-17-2-5-20(28)6-3-17/h2-7,12-15H,8-11,16H2,1H3/p+1/b29-27-
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
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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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50358075
PNG
(CHEMBL1915192)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCCCOc1ccccc1
Show InChI InChI=1S/C29H28N2O4/c1-32-26-10-9-20-15-25-23-17-28-27(34-19-35-28)16-21(23)11-13-31(25)18-24(20)29(26)30-12-5-6-14-33-22-7-3-2-4-8-22/h2-4,7-10,15-18H,5-6,11-14,19H2,1H3/p+1/b30-29-
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n/an/a 349n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50203126
PNG
(3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
Show InChI InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50358094
PNG
(CHEMBL1915208)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCCCOc1cccc2ccccc12
Show InChI InChI=1S/C33H30N2O4/c1-36-30-12-11-23-17-28-26-19-32-31(38-21-39-32)18-24(26)13-15-35(28)20-27(23)33(30)34-14-4-5-16-37-29-10-6-8-22-7-2-3-9-25(22)29/h2-3,6-12,17-20H,4-5,13-16,21H2,1H3/p+1/b34-33-
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50358081
PNG
(CHEMBL541672)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCc1ccccc1
Show InChI InChI=1S/C27H24N2O3/c1-30-24-8-7-19-13-23-21-15-26-25(31-17-32-26)14-20(21)10-12-29(23)16-22(19)27(24)28-11-9-18-5-3-2-4-6-18/h2-8,13-16H,9-12,17H2,1H3/p+1/b28-27-
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n/an/a 406n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50358093
PNG
(CHEMBL1915207)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H22Cl2N2O3/c1-32-24-5-3-17-10-23-20-13-26-25(33-15-34-26)11-18(20)7-9-31(23)14-21(17)27(24)30-8-6-16-2-4-19(28)12-22(16)29/h2-5,10-14H,6-9,15H2,1H3/p+1/b30-27-
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n/an/a 424n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50358087
PNG
(CHEMBL1915201)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCc1ccc(F)cc1
Show InChI InChI=1S/C27H23FN2O3/c1-31-24-7-4-18-12-23-21-14-26-25(32-16-33-26)13-19(21)9-11-30(23)15-22(18)27(24)29-10-8-17-2-5-20(28)6-3-17/h2-7,12-15H,8-11,16H2,1H3/p+1/b29-27-
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n/an/a 445n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50358091
PNG
(CHEMBL1915205)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCc1ccc(C)cc1
Show InChI InChI=1S/C28H26N2O3/c1-18-3-5-19(6-4-18)9-11-29-28-23-16-30-12-10-21-14-26-27(33-17-32-26)15-22(21)24(30)13-20(23)7-8-25(28)31-2/h3-8,13-16H,9-12,17H2,1-2H3/p+1/b29-28-
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50358094
PNG
(CHEMBL1915208)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCCCOc1cccc2ccccc12
Show InChI InChI=1S/C33H30N2O4/c1-36-30-12-11-23-17-28-26-19-32-31(38-21-39-32)18-24(26)13-15-35(28)20-27(23)33(30)34-14-4-5-16-37-29-10-6-8-22-7-2-3-9-25(22)29/h2-3,6-12,17-20H,4-5,13-16,21H2,1H3/p+1/b34-33-
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Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50358084
PNG
(CHEMBL1915198)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCc1cccs1
Show InChI InChI=1S/C25H22N2O3S/c1-28-22-5-4-16-11-21-19-13-24-23(29-15-30-24)12-17(19)7-9-27(21)14-20(16)25(22)26-8-6-18-3-2-10-31-18/h2-5,10-14H,6-9,15H2,1H3/p+1/b26-25-
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n/an/a 555n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50358079
PNG
(CHEMBL539374)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCCN(C)C
Show InChI InChI=1S/C24H27N3O3/c1-26(2)9-4-8-25-24-19-14-27-10-7-17-12-22-23(30-15-29-22)13-18(17)20(27)11-16(19)5-6-21(24)28-3/h5-6,11-14H,4,7-10,15H2,1-3H3/p+1/b25-24-
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n/an/a 576n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50358074
PNG
(CHEMBL1915191)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCCOc1ccccc1
Show InChI InChI=1S/C28H26N2O4/c1-31-25-9-8-19-14-24-22-16-27-26(33-18-34-27)15-20(22)10-12-30(24)17-23(19)28(25)29-11-5-13-32-21-6-3-2-4-7-21/h2-4,6-9,14-17H,5,10-13,18H2,1H3/p+1/b29-28-
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n/an/a 588n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50358084
PNG
(CHEMBL1915198)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCc1cccs1
Show InChI InChI=1S/C25H22N2O3S/c1-28-22-5-4-16-11-21-19-13-24-23(29-15-30-24)12-17(19)7-9-27(21)14-20(16)25(22)26-8-6-18-3-2-10-31-18/h2-5,10-14H,6-9,15H2,1H3/p+1/b26-25-
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n/an/a 608n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50358090
PNG
(CHEMBL1915204)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCc1cccc(C)c1
Show InChI InChI=1S/C28H26N2O3/c1-18-4-3-5-19(12-18)8-10-29-28-23-16-30-11-9-21-14-26-27(33-17-32-26)15-22(21)24(30)13-20(23)6-7-25(28)31-2/h3-7,12-16H,8-11,17H2,1-2H3/p+1/b29-28-
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n/an/a 674n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50358082
PNG
(CHEMBL1915196)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCCc1ccccc1
Show InChI InChI=1S/C28H26N2O3/c1-31-25-10-9-20-14-24-22-16-27-26(32-18-33-27)15-21(22)11-13-30(24)17-23(20)28(25)29-12-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,14-17H,5,8,11-13,18H2,1H3/p+1/b29-28-
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n/an/a 680n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50358073
PNG
(CHEMBL1915190)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCOc1ccccc1
Show InChI InChI=1S/C27H24N2O4/c1-30-24-8-7-18-13-23-21-15-26-25(32-17-33-26)14-19(21)9-11-29(23)16-22(18)27(24)28-10-12-31-20-5-3-2-4-6-20/h2-8,13-16H,9-12,17H2,1H3/p+1/b28-27-
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n/an/a 688n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50358088
PNG
(CHEMBL1915202)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C27H23N3O5/c1-33-24-7-4-18-12-23-21-14-26-25(34-16-35-26)13-19(21)9-11-29(23)15-22(18)27(24)28-10-8-17-2-5-20(6-3-17)30(31)32/h2-7,12-15H,8-11,16H2,1H3/p+1/b28-27-
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n/an/a 693n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50358089
PNG
(CHEMBL1915203)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCc1ccccc1C
Show InChI InChI=1S/C28H26N2O3/c1-18-5-3-4-6-19(18)9-11-29-28-23-16-30-12-10-21-14-26-27(33-17-32-26)15-22(21)24(30)13-20(23)7-8-25(28)31-2/h3-8,13-16H,9-12,17H2,1-2H3/p+1/b29-28-
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n/an/a 713n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50358073
PNG
(CHEMBL1915190)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCOc1ccccc1
Show InChI InChI=1S/C27H24N2O4/c1-30-24-8-7-18-13-23-21-15-26-25(32-17-33-26)14-19(21)9-11-29(23)16-22(18)27(24)28-10-12-31-20-5-3-2-4-6-20/h2-8,13-16H,9-12,17H2,1H3/p+1/b28-27-
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n/an/a 727n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50358082
PNG
(CHEMBL1915196)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCCc1ccccc1
Show InChI InChI=1S/C28H26N2O3/c1-31-25-10-9-20-14-24-22-16-27-26(32-18-33-27)15-21(22)11-13-30(24)17-23(20)28(25)29-12-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,14-17H,5,8,11-13,18H2,1H3/p+1/b29-28-
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n/an/a 785n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50358091
PNG
(CHEMBL1915205)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCc1ccc(C)cc1
Show InChI InChI=1S/C28H26N2O3/c1-18-3-5-19(6-4-18)9-11-29-28-23-16-30-12-10-21-14-26-27(33-17-32-26)15-22(21)24(30)13-20(23)7-8-25(28)31-2/h3-8,13-16H,9-12,17H2,1-2H3/p+1/b29-28-
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n/an/a 821n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50358088
PNG
(CHEMBL1915202)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C27H23N3O5/c1-33-24-7-4-18-12-23-21-14-26-25(34-16-35-26)13-19(21)9-11-29(23)15-22(18)27(24)28-10-8-17-2-5-20(6-3-17)30(31)32/h2-7,12-15H,8-11,16H2,1H3/p+1/b28-27-
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n/an/a 841n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50358078
PNG
(CHEMBL1915195)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\Cc1ccccc1
Show InChI InChI=1S/C26H22N2O3/c1-29-23-8-7-18-11-22-20-13-25-24(30-16-31-25)12-19(20)9-10-28(22)15-21(18)26(23)27-14-17-5-3-2-4-6-17/h2-8,11-13,15H,9-10,14,16H2,1H3/p+1/b27-26-
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n/an/a 936n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50358086
PNG
(CHEMBL1915200)
Show SMILES COc1ccc(CC\[NH+]=c2/c(OC)ccc3cc4-c5cc6OCOc6cc5CCn4cc23)cc1
Show InChI InChI=1S/C28H26N2O4/c1-31-21-6-3-18(4-7-21)9-11-29-28-23-16-30-12-10-20-14-26-27(34-17-33-26)15-22(20)24(30)13-19(23)5-8-25(28)32-2/h3-8,13-16H,9-12,17H2,1-2H3/p+1/b29-28-
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n/an/a 990n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50358076
PNG
(CHEMBL1915193)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCCCCOc1ccccc1
Show InChI InChI=1S/C30H30N2O4/c1-33-27-11-10-21-16-26-24-18-29-28(35-20-36-29)17-22(24)12-14-32(26)19-25(21)30(27)31-13-6-3-7-15-34-23-8-4-2-5-9-23/h2,4-5,8-11,16-19H,3,6-7,12-15,20H2,1H3/p+1/b31-30-
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n/an/a 1.09E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50358097
PNG
(CHEMBL1915211)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CC(C)C
Show InChI InChI=1S/C23H24N2O3/c1-14(2)11-24-23-18-12-25-7-6-16-9-21-22(28-13-27-21)10-17(16)19(25)8-15(18)4-5-20(23)26-3/h4-5,8-10,12,14H,6-7,11,13H2,1-3H3/p+1/b24-23-
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n/an/a 1.14E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50358085
PNG
(CHEMBL1915199)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCc1ccccn1
Show InChI InChI=1S/C26H23N3O3/c1-30-23-6-5-17-12-22-20-14-25-24(31-16-32-25)13-18(20)8-11-29(22)15-21(17)26(23)28-10-7-19-4-2-3-9-27-19/h2-6,9,12-15H,7-8,10-11,16H2,1H3/p+1/b28-26-
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n/an/a 1.16E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50358095
PNG
(CHEMBL1915209)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCCCOc1cccnc1
Show InChI InChI=1S/C28H27N3O4/c1-32-25-7-6-19-13-24-22-15-27-26(34-18-35-27)14-20(22)8-11-31(24)17-23(19)28(25)30-10-2-3-12-33-21-5-4-9-29-16-21/h4-7,9,13-17H,2-3,8,10-12,18H2,1H3/p+1/b30-28-
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n/an/a 1.17E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50358075
PNG
(CHEMBL1915192)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCCCOc1ccccc1
Show InChI InChI=1S/C29H28N2O4/c1-32-26-10-9-20-15-25-23-17-28-27(34-19-35-28)16-21(23)11-13-31(25)18-24(20)29(26)30-12-5-6-14-33-22-7-3-2-4-8-22/h2-4,7-10,15-18H,5-6,11-14,19H2,1H3/p+1/b30-29-
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n/an/a 1.20E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50358083
PNG
(CHEMBL1915197)
Show SMILES COc1ccc2[nH]cc(CC\[NH+]=c3/c(OC)ccc4cc5-c6cc7OCOc7cc6CCn5cc34)c2c1
Show InChI InChI=1S/C30H27N3O4/c1-34-21-4-5-25-22(13-21)20(15-32-25)7-9-31-30-24-16-33-10-8-19-12-28-29(37-17-36-28)14-23(19)26(33)11-18(24)3-6-27(30)35-2/h3-6,11-16,32H,7-10,17H2,1-2H3/p+1/b31-30-
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n/an/a 1.26E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50358077
PNG
(CHEMBL1915194)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCCCCCOc1ccccc1
Show InChI InChI=1S/C31H32N2O4/c1-34-28-12-11-22-17-27-25-19-30-29(36-21-37-30)18-23(25)13-15-33(27)20-26(22)31(28)32-14-7-2-3-8-16-35-24-9-5-4-6-10-24/h4-6,9-12,17-20H,2-3,7-8,13-16,21H2,1H3/p+1/b32-31-
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n/an/a 1.30E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50358083
PNG
(CHEMBL1915197)
Show SMILES COc1ccc2[nH]cc(CC\[NH+]=c3/c(OC)ccc4cc5-c6cc7OCOc7cc6CCn5cc34)c2c1
Show InChI InChI=1S/C30H27N3O4/c1-34-21-4-5-25-22(13-21)20(15-32-25)7-9-31-30-24-16-33-10-8-19-12-28-29(37-17-36-28)14-23(19)26(33)11-18(24)3-6-27(30)35-2/h3-6,11-16,32H,7-10,17H2,1-2H3/p+1/b31-30-
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n/an/a 1.39E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50358077
PNG
(CHEMBL1915194)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCCCCCOc1ccccc1
Show InChI InChI=1S/C31H32N2O4/c1-34-28-12-11-22-17-27-25-19-30-29(36-21-37-30)18-23(25)13-15-33(27)20-26(22)31(28)32-14-7-2-3-8-16-35-24-9-5-4-6-10-24/h4-6,9-12,17-20H,2-3,7-8,13-16,21H2,1H3/p+1/b32-31-
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n/an/a 1.42E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50358076
PNG
(CHEMBL1915193)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCCCCOc1ccccc1
Show InChI InChI=1S/C30H30N2O4/c1-33-27-11-10-21-16-26-24-18-29-28(35-20-36-29)17-22(24)12-14-32(26)19-25(21)30(27)31-13-6-3-7-15-34-23-8-4-2-5-9-23/h2,4-5,8-11,16-19H,3,6-7,12-15,20H2,1H3/p+1/b31-30-
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n/an/a 1.56E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50358096
PNG
(CHEMBL1915210)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\C(C)c1ccccc1
Show InChI InChI=1S/C27H24N2O3/c1-17(18-6-4-3-5-7-18)28-27-22-15-29-11-10-20-13-25-26(32-16-31-25)14-21(20)23(29)12-19(22)8-9-24(27)30-2/h3-9,12-15,17H,10-11,16H2,1-2H3/p+1/b28-27-
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n/an/a 1.91E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride substrate as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50358097
PNG
(CHEMBL1915211)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CC(C)C
Show InChI InChI=1S/C23H24N2O3/c1-14(2)11-24-23-18-12-25-7-6-16-9-21-22(28-13-27-21)10-17(16)19(25)8-15(18)4-5-20(23)26-3/h4-5,8-10,12,14H,6-7,11,13H2,1-3H3/p+1/b24-23-
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n/an/a 2.02E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50358078
PNG
(CHEMBL1915195)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\Cc1ccccc1
Show InChI InChI=1S/C26H22N2O3/c1-29-23-8-7-18-11-22-20-13-25-24(30-16-31-25)12-19(20)9-10-28(22)15-21(18)26(23)27-14-17-5-3-2-4-6-17/h2-8,11-13,15H,9-10,14,16H2,1H3/p+1/b27-26-
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n/an/a 2.28E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50358085
PNG
(CHEMBL1915199)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCc1ccccn1
Show InChI InChI=1S/C26H23N3O3/c1-30-23-6-5-17-12-22-20-14-25-24(31-16-32-25)13-18(20)8-11-29(22)15-21(17)26(23)28-10-7-19-4-2-3-9-27-19/h2-6,9,12-15H,7-8,10-11,16H2,1H3/p+1/b28-26-
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n/an/a 2.50E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50358086
PNG
(CHEMBL1915200)
Show SMILES COc1ccc(CC\[NH+]=c2/c(OC)ccc3cc4-c5cc6OCOc6cc5CCn4cc23)cc1
Show InChI InChI=1S/C28H26N2O4/c1-31-21-6-3-18(4-7-21)9-11-29-28-23-16-30-12-10-20-14-26-27(34-17-33-26)15-22(20)24(30)13-19(23)5-8-25(28)32-2/h3-8,13-16H,9-12,17H2,1-2H3/p+1/b29-28-
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n/an/a 2.89E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50358095
PNG
(CHEMBL1915209)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\CCCCOc1cccnc1
Show InChI InChI=1S/C28H27N3O4/c1-32-25-7-6-19-13-24-22-15-27-26(34-18-35-27)14-20(22)8-11-31(24)17-23(19)28(25)30-10-2-3-12-33-21-5-4-9-29-16-21/h4-7,9,13-17H,2-3,8,10-12,18H2,1H3/p+1/b30-28-
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n/an/a 2.94E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50358096
PNG
(CHEMBL1915210)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CCn3cc2\c1=[NH+]\C(C)c1ccccc1
Show InChI InChI=1S/C27H24N2O3/c1-17(18-6-4-3-5-7-18)28-27-22-15-29-11-10-20-13-25-26(32-16-31-25)14-21(20)23(29)12-19(22)8-9-24(27)30-2/h3-9,12-15,17H,10-11,16H2,1-2H3/p+1/b28-27-
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n/an/a 3.28E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50358092
PNG
(CHEMBL1915206)
Show SMILES COc1ccc(CC\[NH+]=c2/c(OC)ccc3cc4-c5cc6OCOc6cc5CCn4cc23)cc1OC
Show InChI InChI=1S/C29H28N2O5/c1-32-24-6-4-18(12-26(24)34-3)8-10-30-29-22-16-31-11-9-20-14-27-28(36-17-35-27)15-21(20)23(31)13-19(22)5-7-25(29)33-2/h4-7,12-16H,8-11,17H2,1-3H3/p+1/b30-29-
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n/an/a 5.82E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 15 mins by Ellman's method


Eur J Med Chem 46: 5885-93 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.051
BindingDB Entry DOI: 10.7270/Q2Z60PGX
More data for this
Ligand-Target Pair
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