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PubMed code 26795115

Compile data set for download or QSAR
Found 34 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500691
PNG
(CHEMBL3754448)
Show SMILES CCN(Cc1cccc2[nH]c3cc(Cl)ccc3c12)C(=O)\C=C\c1ccc(O)c(OC)c1
Show InChI InChI=1S/C25H23ClN2O3/c1-3-28(24(30)12-8-16-7-11-22(29)23(13-16)31-2)15-17-5-4-6-20-25(17)19-10-9-18(26)14-21(19)27-20/h4-14,27,29H,3,15H2,1-2H3/b12-8+
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n/an/a 1.90E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using ATC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500686
PNG
(CHEMBL3752232)
Show SMILES CCNCc1cccc2[nH]c3cc(Cl)ccc3c12
Show InChI InChI=1S/C15H15ClN2/c1-2-17-9-10-4-3-5-13-15(10)12-7-6-11(16)8-14(12)18-13/h3-8,17-18H,2,9H2,1H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using BTC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500686
PNG
(CHEMBL3752232)
Show SMILES CCNCc1cccc2[nH]c3cc(Cl)ccc3c12
Show InChI InChI=1S/C15H15ClN2/c1-2-17-9-10-4-3-5-13-15(10)12-7-6-11(16)8-14(12)18-13/h3-8,17-18H,2,9H2,1H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using ATC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50500691
PNG
(CHEMBL3754448)
Show SMILES CCN(Cc1cccc2[nH]c3cc(Cl)ccc3c12)C(=O)\C=C\c1ccc(O)c(OC)c1
Show InChI InChI=1S/C25H23ClN2O3/c1-3-28(24(30)12-8-16-7-11-22(29)23(13-16)31-2)15-17-5-4-6-20-25(17)19-10-9-18(26)14-21(19)27-20/h4-14,27,29H,3,15H2,1-2H3/b12-8+
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n/an/a 2.80E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of human BChE using BTC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500691
PNG
(CHEMBL3754448)
Show SMILES CCN(Cc1cccc2[nH]c3cc(Cl)ccc3c12)C(=O)\C=C\c1ccc(O)c(OC)c1
Show InChI InChI=1S/C25H23ClN2O3/c1-3-28(24(30)12-8-16-7-11-22(29)23(13-16)31-2)15-17-5-4-6-20-25(17)19-10-9-18(26)14-21(19)27-20/h4-14,27,29H,3,15H2,1-2H3/b12-8+
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n/an/a 3.10E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using BTC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50500686
PNG
(CHEMBL3752232)
Show SMILES CCNCc1cccc2[nH]c3cc(Cl)ccc3c12
Show InChI InChI=1S/C15H15ClN2/c1-2-17-9-10-4-3-5-13-15(10)12-7-6-11(16)8-14(12)18-13/h3-8,17-18H,2,9H2,1H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of human AChE using ATC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50500691
PNG
(CHEMBL3754448)
Show SMILES CCN(Cc1cccc2[nH]c3cc(Cl)ccc3c12)C(=O)\C=C\c1ccc(O)c(OC)c1
Show InChI InChI=1S/C25H23ClN2O3/c1-3-28(24(30)12-8-16-7-11-22(29)23(13-16)31-2)15-17-5-4-6-20-25(17)19-10-9-18(26)14-21(19)27-20/h4-14,27,29H,3,15H2,1-2H3/b12-8+
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n/an/a 6.90E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of human AChE using ATC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50500686
PNG
(CHEMBL3752232)
Show SMILES CCNCc1cccc2[nH]c3cc(Cl)ccc3c12
Show InChI InChI=1S/C15H15ClN2/c1-2-17-9-10-4-3-5-13-15(10)12-7-6-11(16)8-14(12)18-13/h3-8,17-18H,2,9H2,1H3
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n/an/a 7.90E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of human BChE using BTC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50500690
PNG
(CHEMBL3752974)
Show SMILES CC(C)NCc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C16H18N2/c1-11(2)17-10-12-6-5-9-15-16(12)13-7-3-4-8-14(13)18-15/h3-9,11,17-18H,10H2,1-2H3
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n/an/a 8.10E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of human BChE using BTC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
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 8.50E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using ATC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500690
PNG
(CHEMBL3752974)
Show SMILES CC(C)NCc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C16H18N2/c1-11(2)17-10-12-6-5-9-15-16(12)13-7-3-4-8-14(13)18-15/h3-9,11,17-18H,10H2,1-2H3
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n/an/a 8.90E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using BTC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50500688
PNG
(CHEMBL3754631)
Show SMILES COc1cc(\C=C\C(=O)N(Cc2cccc3[nH]c4ccccc4c23)C(C)C)ccc1O
Show InChI InChI=1S/C26H26N2O3/c1-17(2)28(25(30)14-12-18-11-13-23(29)24(15-18)31-3)16-19-7-6-10-22-26(19)20-8-4-5-9-21(20)27-22/h4-15,17,27,29H,16H2,1-3H3/b14-12+
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n/an/a 9.00E+3n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of human BChE using BTC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500688
PNG
(CHEMBL3754631)
Show SMILES COc1cc(\C=C\C(=O)N(Cc2cccc3[nH]c4ccccc4c23)C(C)C)ccc1O
Show InChI InChI=1S/C26H26N2O3/c1-17(2)28(25(30)14-12-18-11-13-23(29)24(15-18)31-3)16-19-7-6-10-22-26(19)20-8-4-5-9-21(20)27-22/h4-15,17,27,29H,16H2,1-3H3/b14-12+
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n/an/a 1.11E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using ATC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500688
PNG
(CHEMBL3754631)
Show SMILES COc1cc(\C=C\C(=O)N(Cc2cccc3[nH]c4ccccc4c23)C(C)C)ccc1O
Show InChI InChI=1S/C26H26N2O3/c1-17(2)28(25(30)14-12-18-11-13-23(29)24(15-18)31-3)16-19-7-6-10-22-26(19)20-8-4-5-9-21(20)27-22/h4-15,17,27,29H,16H2,1-3H3/b14-12+
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n/an/a 1.27E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using BTC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500685
PNG
(CHEMBL3754419)
Show SMILES CCN(Cc1cccc2[nH]c3ccccc3c12)C(=O)\C=C\c1ccc(O)c(OC)c1
Show InChI InChI=1S/C25H24N2O3/c1-3-27(24(29)14-12-17-11-13-22(28)23(15-17)30-2)16-18-7-6-10-21-25(18)19-8-4-5-9-20(19)26-21/h4-15,26,28H,3,16H2,1-2H3/b14-12+
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n/an/a 1.38E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using BTC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500695
PNG
(CHEMBL3752518)
Show SMILES COc1ccc2c(c1)[nH]c1cccc(CN(C(C)C)C(=O)\C=C\c3ccc(O)c(OC)c3)c21
Show InChI InChI=1S/C27H28N2O4/c1-17(2)29(26(31)13-9-18-8-12-24(30)25(14-18)33-4)16-19-6-5-7-22-27(19)21-11-10-20(32-3)15-23(21)28-22/h5-15,17,28,30H,16H2,1-4H3/b13-9+
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n/an/a 1.39E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using BTC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500685
PNG
(CHEMBL3754419)
Show SMILES CCN(Cc1cccc2[nH]c3ccccc3c12)C(=O)\C=C\c1ccc(O)c(OC)c1
Show InChI InChI=1S/C25H24N2O3/c1-3-27(24(29)14-12-17-11-13-22(28)23(15-17)30-2)16-18-7-6-10-21-25(18)19-8-4-5-9-20(19)26-21/h4-15,26,28H,3,16H2,1-2H3/b14-12+
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Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using ATC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50500690
PNG
(CHEMBL3752974)
Show SMILES CC(C)NCc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C16H18N2/c1-11(2)17-10-12-6-5-9-15-16(12)13-7-3-4-8-14(13)18-15/h3-9,11,17-18H,10H2,1-2H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of human AChE using ATC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500687
PNG
(CHEMBL3754289)
Show SMILES CCN(Cc1cccc2[nH]c3cc(OC)ccc3c12)C(=O)\C=C\c1ccc(O)c(OC)c1
Show InChI InChI=1S/C26H26N2O4/c1-4-28(25(30)13-9-17-8-12-23(29)24(14-17)32-3)16-18-6-5-7-21-26(18)20-11-10-19(31-2)15-22(20)27-21/h5-15,27,29H,4,16H2,1-3H3/b13-9+
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n/an/a 1.98E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using BTC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500697
PNG
(CHEMBL3752521)
Show SMILES COc1ccc2c(c1)[nH]c1cccc(CN(C3CCCCC3)C(=O)\C=C\c3ccc(O)c(OC)c3)c21
Show InChI InChI=1S/C30H32N2O4/c1-35-23-13-14-24-26(18-23)31-25-10-6-7-21(30(24)25)19-32(22-8-4-3-5-9-22)29(34)16-12-20-11-15-27(33)28(17-20)36-2/h6-7,10-18,22,31,33H,3-5,8-9,19H2,1-2H3/b16-12+
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n/an/a 2.05E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using BTC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500690
PNG
(CHEMBL3752974)
Show SMILES CC(C)NCc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C16H18N2/c1-11(2)17-10-12-6-5-9-15-16(12)13-7-3-4-8-14(13)18-15/h3-9,11,17-18H,10H2,1-2H3
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n/an/a 2.16E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using ATC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500692
PNG
(CHEMBL3754652)
Show SMILES COc1cc(\C=C\C(=O)N(Cc2cccc3[nH]c4ccccc4c23)C2CCCCC2)ccc1O
Show InChI InChI=1S/C29H30N2O3/c1-34-27-18-20(14-16-26(27)32)15-17-28(33)31(22-9-3-2-4-10-22)19-21-8-7-13-25-29(21)23-11-5-6-12-24(23)30-25/h5-8,11-18,22,30,32H,2-4,9-10,19H2,1H3/b17-15+
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n/an/a 2.20E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using BTC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50500688
PNG
(CHEMBL3754631)
Show SMILES COc1cc(\C=C\C(=O)N(Cc2cccc3[nH]c4ccccc4c23)C(C)C)ccc1O
Show InChI InChI=1S/C26H26N2O3/c1-17(2)28(25(30)14-12-18-11-13-23(29)24(15-18)31-3)16-19-7-6-10-22-26(19)20-8-4-5-9-21(20)27-22/h4-15,17,27,29H,16H2,1-3H3/b14-12+
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n/an/a 2.20E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of human AChE using ATC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500693
PNG
(CHEMBL3753231)
Show SMILES COc1ccc2c(c1)[nH]c1cccc(CN(C3CCCC3)C(=O)\C=C\c3ccc(O)c(OC)c3)c21
Show InChI InChI=1S/C29H30N2O4/c1-34-22-12-13-23-25(17-22)30-24-9-5-6-20(29(23)24)18-31(21-7-3-4-8-21)28(33)15-11-19-10-14-26(32)27(16-19)35-2/h5-6,9-17,21,30,32H,3-4,7-8,18H2,1-2H3/b15-11+
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n/an/a 2.59E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using BTC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 2.81E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using BTC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500689
PNG
(CHEMBL3752517)
Show SMILES COc1cc(\C=C\C(=O)N(Cc2cccc3[nH]c4ccccc4c23)C2CCCC2)ccc1O
Show InChI InChI=1S/C28H28N2O3/c1-33-26-17-19(13-15-25(26)31)14-16-27(32)30(21-8-2-3-9-21)18-20-7-6-12-24-28(20)22-10-4-5-11-23(22)29-24/h4-7,10-17,21,29,31H,2-3,8-9,18H2,1H3/b16-14+
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n/an/a 3.16E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using BTC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500695
PNG
(CHEMBL3752518)
Show SMILES COc1ccc2c(c1)[nH]c1cccc(CN(C(C)C)C(=O)\C=C\c3ccc(O)c(OC)c3)c21
Show InChI InChI=1S/C27H28N2O4/c1-17(2)29(26(31)13-9-18-8-12-24(30)25(14-18)33-4)16-19-6-5-7-22-27(19)21-11-10-20(32-3)15-23(21)28-22/h5-15,17,28,30H,16H2,1-4H3/b13-9+
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n/an/a 5.82E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using ATC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500687
PNG
(CHEMBL3754289)
Show SMILES CCN(Cc1cccc2[nH]c3cc(OC)ccc3c12)C(=O)\C=C\c1ccc(O)c(OC)c1
Show InChI InChI=1S/C26H26N2O4/c1-4-28(25(30)13-9-17-8-12-23(29)24(14-17)32-3)16-18-6-5-7-21-26(18)20-11-10-19(31-2)15-22(20)27-21/h5-15,27,29H,4,16H2,1-3H3/b13-9+
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n/an/a 6.16E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using ATC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500693
PNG
(CHEMBL3753231)
Show SMILES COc1ccc2c(c1)[nH]c1cccc(CN(C3CCCC3)C(=O)\C=C\c3ccc(O)c(OC)c3)c21
Show InChI InChI=1S/C29H30N2O4/c1-34-22-12-13-23-25(17-22)30-24-9-5-6-20(29(23)24)18-31(21-7-3-4-8-21)28(33)15-11-19-10-14-26(32)27(16-19)35-2/h5-6,9-17,21,30,32H,3-4,7-8,18H2,1-2H3/b15-11+
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n/an/a 8.82E+4n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using ATC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500689
PNG
(CHEMBL3752517)
Show SMILES COc1cc(\C=C\C(=O)N(Cc2cccc3[nH]c4ccccc4c23)C2CCCC2)ccc1O
Show InChI InChI=1S/C28H28N2O3/c1-33-26-17-19(13-15-25(26)31)14-16-27(32)30(21-8-2-3-9-21)18-20-7-6-12-24-28(20)22-10-4-5-11-23(22)29-24/h4-7,10-17,21,29,31H,2-3,8-9,18H2,1H3/b16-14+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using ATC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500692
PNG
(CHEMBL3754652)
Show SMILES COc1cc(\C=C\C(=O)N(Cc2cccc3[nH]c4ccccc4c23)C2CCCCC2)ccc1O
Show InChI InChI=1S/C29H30N2O3/c1-34-27-18-20(14-16-26(27)32)15-17-28(33)31(22-9-3-2-4-10-22)19-21-8-7-13-25-29(21)23-11-5-6-12-24(23)30-25/h5-8,11-18,22,30,32H,2-4,9-10,19H2,1H3/b17-15+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using ATC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500697
PNG
(CHEMBL3752521)
Show SMILES COc1ccc2c(c1)[nH]c1cccc(CN(C3CCCCC3)C(=O)\C=C\c3ccc(O)c(OC)c3)c21
Show InChI InChI=1S/C30H32N2O4/c1-35-23-13-14-24-26(18-23)31-25-10-6-7-21(30(24)25)19-32(22-8-4-3-5-9-22)29(34)16-12-20-11-15-27(33)28(17-20)36-2/h6-7,10-18,22,31,33H,3-5,8-9,19H2,1-2H3/b16-12+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using ATC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500694
PNG
(CHEMBL3753827)
Show SMILES COc1cc(\C=C\C(=O)N(Cc2ccccc2)Cc2cccc3[nH]c4ccccc4c23)ccc1O
Show InChI InChI=1S/C30H26N2O3/c1-35-28-18-21(14-16-27(28)33)15-17-29(34)32(19-22-8-3-2-4-9-22)20-23-10-7-13-26-30(23)24-11-5-6-12-25(24)31-26/h2-18,31,33H,19-20H2,1H3/b17-15+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using ATC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500696
PNG
(CHEMBL3752703)
Show SMILES COc1ccc2c(c1)[nH]c1cccc(CN(Cc3ccccc3)C(=O)\C=C\c3ccc(O)c(OC)c3)c21
Show InChI InChI=1S/C31H28N2O4/c1-36-24-13-14-25-27(18-24)32-26-10-6-9-23(31(25)26)20-33(19-22-7-4-3-5-8-22)30(35)16-12-21-11-15-28(34)29(17-21)37-2/h3-18,32,34H,19-20H2,1-2H3/b16-12+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using ATC as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by Ellman's assay

Bioorg Med Chem 24: 886-93 (2016)


Article DOI: 10.1016/j.bmc.2016.01.010
BindingDB Entry DOI: 10.7270/Q23R0WWJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%