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Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'meng' and Initial = 'fc'   
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))
BDBM50386070
PNG
(CHEMBL2043052)
Show SMILES COc1cc2C\C(=C\c3ccncc3)C(=O)c2cc1OCCN1CCCCC1
Show InChI InChI=1S/C23H26N2O3/c1-27-21-15-18-14-19(13-17-5-7-24-8-6-17)23(26)20(18)16-22(21)28-12-11-25-9-3-2-4-10-25/h5-8,13,15-16H,2-4,9-12,14H2,1H3/b19-13-
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n/an/a 1.80n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase using acetylcholine chloride as substrate incubated for 15 mins prior to substrate addition measure...


Bioorg Med Chem Lett 22: 4462-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.029
BindingDB Entry DOI: 10.7270/Q2PC33DC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50386065
PNG
(CHEMBL2043044)
Show SMILES COc1cc2C\C(=C\c3ccccn3)C(=O)c2cc1OCCN1CCCCC1
Show InChI InChI=1S/C23H26N2O3/c1-27-21-15-17-13-18(14-19-7-3-4-8-24-19)23(26)20(17)16-22(21)28-12-11-25-9-5-2-6-10-25/h3-4,7-8,14-16H,2,5-6,9-13H2,1H3/b18-14-
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n/an/a 4.40n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase using acetylcholine chloride as substrate incubated for 15 mins prior to substrate addition measure...


Bioorg Med Chem Lett 22: 4462-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.029
BindingDB Entry DOI: 10.7270/Q2PC33DC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50386063
PNG
(CHEMBL2043045)
Show SMILES COc1cc2C\C(=C\c3ccccc3)C(=O)c2cc1OCCN1CCCCC1
Show InChI InChI=1S/C24H27NO3/c1-27-22-16-19-15-20(14-18-8-4-2-5-9-18)24(26)21(19)17-23(22)28-13-12-25-10-6-3-7-11-25/h2,4-5,8-9,14,16-17H,3,6-7,10-13,15H2,1H3/b20-14-
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n/an/a 9.10n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase using acetylcholine chloride as substrate incubated for 15 mins prior to substrate addition measure...


Bioorg Med Chem Lett 22: 4462-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.029
BindingDB Entry DOI: 10.7270/Q2PC33DC
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 13n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measu...


Bioorg Med Chem Lett 22: 4462-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.029
BindingDB Entry DOI: 10.7270/Q2PC33DC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 26n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase using acetylcholine chloride as substrate incubated for 15 mins prior to substrate addition measure...


Bioorg Med Chem Lett 22: 4462-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.029
BindingDB Entry DOI: 10.7270/Q2PC33DC
More data for this
Ligand-Target Pair
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))
BDBM50386054
PNG
(CHEMBL2043053)
Show SMILES COc1cc2C\C(=C\c3ccncc3)C(=O)c2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C24H28N2O3/c1-28-22-16-19-15-20(14-18-6-8-25-9-7-18)24(27)21(19)17-23(22)29-13-5-12-26-10-3-2-4-11-26/h6-9,14,16-17H,2-5,10-13,15H2,1H3/b20-14-
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n/an/a 62n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase using acetylcholine chloride as substrate incubated for 15 mins prior to substrate addition measure...


Bioorg Med Chem Lett 22: 4462-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.029
BindingDB Entry DOI: 10.7270/Q2PC33DC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50386055
PNG
(CHEMBL2043054)
Show SMILES COc1cc2C\C(=C\c3ccncc3)C(=O)c2cc1OCCCCN1CCCCC1
Show InChI InChI=1S/C25H30N2O3/c1-29-23-17-20-16-21(15-19-7-9-26-10-8-19)25(28)22(20)18-24(23)30-14-6-5-13-27-11-3-2-4-12-27/h7-10,15,17-18H,2-6,11-14,16H2,1H3/b21-15-
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n/an/a 81n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase using acetylcholine chloride as substrate incubated for 15 mins prior to substrate addition measure...


Bioorg Med Chem Lett 22: 4462-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.029
BindingDB Entry DOI: 10.7270/Q2PC33DC
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 85.8n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase using acetylcholine chloride as substrate incubated for 15 mins prior to substrate addition measure...


Bioorg Med Chem Lett 22: 4462-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.029
BindingDB Entry DOI: 10.7270/Q2PC33DC
More data for this
Ligand-Target Pair
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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n/an/a 130n/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))
BDBM50386059
PNG
(CHEMBL2043058)
Show SMILES COc1cc2C\C(=C\c3ccncc3)C(=O)c2cc1OCCCCN1CCCC1
Show InChI InChI=1S/C24H28N2O3/c1-28-22-16-19-15-20(14-18-6-8-25-9-7-18)24(27)21(19)17-23(22)29-13-5-4-12-26-10-2-3-11-26/h6-9,14,16-17H,2-5,10-13,15H2,1H3/b20-14-
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n/an/a 156n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase using acetylcholine chloride as substrate incubated for 15 mins prior to substrate addition measure...


Bioorg Med Chem Lett 22: 4462-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.029
BindingDB Entry DOI: 10.7270/Q2PC33DC
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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n/an/a 160n/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))
BDBM50386060
PNG
(CHEMBL2043059)
Show SMILES CCN(CC)CCCCOc1cc2C(=O)\C(Cc2cc1OC)=C/c1ccncc1
Show InChI InChI=1S/C24H30N2O3/c1-4-26(5-2)12-6-7-13-29-23-17-21-19(16-22(23)28-3)15-20(24(21)27)14-18-8-10-25-11-9-18/h8-11,14,16-17H,4-7,12-13,15H2,1-3H3/b20-14-
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n/an/a 205n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase using acetylcholine chloride as substrate incubated for 15 mins prior to substrate addition measure...


Bioorg Med Chem Lett 22: 4462-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.029
BindingDB Entry DOI: 10.7270/Q2PC33DC
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))
BDBM50386057
PNG
(CHEMBL2043056)
Show SMILES COc1cc2C\C(=C\c3ccncc3)C(=O)c2cc1OCCCCCCN1CCCCC1
Show InChI InChI=1S/C27H34N2O3/c1-31-25-19-22-18-23(17-21-9-11-28-12-10-21)27(30)24(22)20-26(25)32-16-8-3-2-5-13-29-14-6-4-7-15-29/h9-12,17,19-20H,2-8,13-16,18H2,1H3/b23-17-
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n/an/a 232n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase using acetylcholine chloride as substrate incubated for 15 mins prior to substrate addition measure...


Bioorg Med Chem Lett 22: 4462-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.029
BindingDB Entry DOI: 10.7270/Q2PC33DC
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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n/an/a 238n/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))
BDBM50386062
PNG
(CHEMBL2043061)
Show SMILES CCN(CC)CCCCCCOc1cc2C(=O)\C(Cc2cc1OC)=C/c1ccncc1
Show InChI InChI=1S/C26H34N2O3/c1-4-28(5-2)14-8-6-7-9-15-31-25-19-23-21(18-24(25)30-3)17-22(26(23)29)16-20-10-12-27-13-11-20/h10-13,16,18-19H,4-9,14-15,17H2,1-3H3/b22-16-
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n/an/a 271n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase using acetylcholine chloride as substrate incubated for 15 mins prior to substrate addition measure...


Bioorg Med Chem Lett 22: 4462-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.029
BindingDB Entry DOI: 10.7270/Q2PC33DC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50386056
PNG
(CHEMBL2043055)
Show SMILES COc1cc2C\C(=C\c3ccncc3)C(=O)c2cc1OCCCCCN1CCCCC1
Show InChI InChI=1S/C26H32N2O3/c1-30-24-18-21-17-22(16-20-8-10-27-11-9-20)26(29)23(21)19-25(24)31-15-7-3-6-14-28-12-4-2-5-13-28/h8-11,16,18-19H,2-7,12-15,17H2,1H3/b22-16-
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n/an/a 288n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase using acetylcholine chloride as substrate incubated for 15 mins prior to substrate addition measure...


Bioorg Med Chem Lett 22: 4462-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.029
BindingDB Entry DOI: 10.7270/Q2PC33DC
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 311n/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))
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))
BDBM50386071
PNG
(CHEMBL2043051)
Show SMILES COc1cc2CCC(=O)c2cc1OCCCCCN1CCCCC1
Show InChI InChI=1S/C20H29NO3/c1-23-19-14-16-8-9-18(22)17(16)15-20(19)24-13-7-3-6-12-21-10-4-2-5-11-21/h14-15H,2-13H2,1H3
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n/an/a 361n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase using acetylcholine chloride as substrate incubated for 15 mins prior to substrate addition measure...


Bioorg Med Chem Lett 22: 4462-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.029
BindingDB Entry DOI: 10.7270/Q2PC33DC
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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n/an/a 374n/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))
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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n/an/a 400n/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))
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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n/an/a 449n/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))
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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n/an/a 511n/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))
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 623n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase using acetylcholine chloride as substrate incubated for 15 mins prior to substrate addition measure...


Bioorg Med Chem Lett 22: 4462-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.029
BindingDB Entry DOI: 10.7270/Q2PC33DC
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50386058
PNG
(CHEMBL2043057)
Show SMILES COc1cc2C\C(=C\c3ccncc3)C(=O)c2cc1OCCCCCCCCCN1CCCCC1
Show InChI InChI=1S/C30H40N2O3/c1-34-28-22-25-21-26(20-24-12-14-31-15-13-24)30(33)27(25)23-29(28)35-19-11-6-4-2-3-5-8-16-32-17-9-7-10-18-32/h12-15,20,22-23H,2-11,16-19,21H2,1H3/b26-20-
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n/an/a 734n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase using acetylcholine chloride as substrate incubated for 15 mins prior to substrate addition measure...


Bioorg Med Chem Lett 22: 4462-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.029
BindingDB Entry DOI: 10.7270/Q2PC33DC
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))
BDBM50386069
PNG
(CHEMBL2043050)
Show SMILES COc1cc2CCC(=O)c2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C18H25NO3/c1-21-17-12-14-6-7-16(20)15(14)13-18(17)22-11-5-10-19-8-3-2-4-9-19/h12-13H,2-11H2,1H3
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n/an/a 916n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase using acetylcholine chloride as substrate incubated for 15 mins prior to substrate addition measure...


Bioorg Med Chem Lett 22: 4462-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.029
BindingDB Entry DOI: 10.7270/Q2PC33DC
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
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