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PubMed code 26337018

Compile data set for download or QSAR
Found 44 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))		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 49n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50117962
PNG
(CHEMBL3612822)
Show SMILES COc1ccc(\C=C\C(=O)SSC(=O)\C=C\c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C23H24N4O3S/c1-4-29-20-10-17-18(11-21(20)30-5-2)24-14-25-23(17)26-16-8-6-7-15(9-16)19-13-31-22(27-19)12-28-3/h6-11,13-14H,4-5,12H2,1-3H3,(H,24,25,26)
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n/an/a 56n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50117941
PNG
(CHEMBL3612823)
Show SMILES COc1cc(\C=C\C(=O)SSC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C18H14N4S/c1-12-21-17(10-23-12)13-5-4-6-14(9-13)22-18-15-7-2-3-8-16(15)19-11-20-18/h2-11H,1H3,(H,19,20,22)
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n/an/a 121n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50117942
PNG
(CHEMBL3612824)
Show SMILES COc1ccc(\C=C\C(=O)SSC(=O)\C=C\c2ccc(OC)cc2OC)c(OC)c1
Show InChI InChI=1S/C24H27N5O2S/c1-4-30-21-12-18-19(13-22(21)31-5-2)28-23(9-10-25)29-24(18)27-17-8-6-7-16(11-17)20-14-32-15(3)26-20/h6-8,11-14H,4-5,9-10,25H2,1-3H3,(H,27,28,29)
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n/an/a 142n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50117958
PNG
(CHEMBL3612820)
Show SMILES Oc1ccc(\C=C\C(=O)SSC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H21N3O3/c1-4-25-18-10-16-17(11-19(18)26-5-2)21-12-22-20(16)23-15-8-6-7-14(9-15)13(3)24/h6-12H,4-5H2,1-3H3,(H,21,22,23)
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n/an/a 210n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50117959
PNG
(CHEMBL3612821)
Show SMILES COc1ccc(\C=C\C(=O)SSC(=O)\C=C\c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C23H22N4O2/c1-3-28-21-12-19-20(13-22(21)29-4-2)25-15-26-23(19)27-18-9-5-7-16(11-18)17-8-6-10-24-14-17/h5-15H,3-4H2,1-2H3,(H,25,26,27)
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n/an/a 220n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50117956
PNG
(CHEMBL3612819)
Show SMILES Brc1ccc(\C=C\C(=O)SSC(=O)\C=C\c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C22H21ClN4O2S/c1-4-28-20-9-15-17(10-21(20)29-5-2)24-12-25-22(15)27-18-8-14(6-7-16(18)23)19-11-30-13(3)26-19/h6-12H,4-5H2,1-3H3,(H,24,25,27)
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n/an/a 340n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50117951
PNG
(CHEMBL3612816)
Show SMILES Fc1ccc(\C=C\C(=O)SSC(=O)\C=C\c2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H29N5O2S/c1-5-26-14-24-29-20-13-23(32-7-3)22(31-6-2)12-19(20)25(30-24)28-18-10-8-9-17(11-18)21-15-33-16(4)27-21/h8-13,15,26H,5-7,14H2,1-4H3,(H,28,29,30)
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n/an/a 450n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50117953
PNG
(CHEMBL3612817)
Show SMILES Clc1ccc(\C=C\C(=O)SSC(=O)\C=C\c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H30N4O2S/c1-6-31-23-13-20-21(14-24(23)32-7-2)29-25(11-16(3)4)30-26(20)28-19-10-8-9-18(12-19)22-15-33-17(5)27-22/h8-10,12-16H,6-7,11H2,1-5H3,(H,28,29,30)
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n/an/a 510n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50117954
PNG
(CHEMBL3612818)
Show SMILES Brc1cccc(\C=C\C(=O)SSC(=O)\C=C\c2cccc(Br)c2)c1
Show InChI InChI=1S/C25H25N3O2/c1-4-29-23-14-21-22(15-24(23)30-5-2)26-16-27-25(21)28-20-8-6-7-19(13-20)18-11-9-17(3)10-12-18/h6-16H,4-5H2,1-3H3,(H,26,27,28)
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n/an/a 540n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50117949
PNG
(CHEMBL3612621)
Show SMILES COc1ccc(\C=C\CSSC\C=C\c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C23H24N4O2S/c1-4-5-9-29-22-11-18-19(12-21(22)28-3)24-14-25-23(18)27-17-8-6-7-16(10-17)20-13-30-15(2)26-20/h6-8,10-14H,4-5,9H2,1-3H3,(H,24,25,27)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50117950
PNG
(CHEMBL3612815)
Show SMILES COc1cc(\C=C\CSSC\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C24H26N4O3S/c1-5-29-20-12-18-21(23(31-7-3)22(20)30-6-2)25-14-26-24(18)28-17-10-8-9-16(11-17)19-13-32-15(4)27-19/h8-14H,5-7H2,1-4H3,(H,25,26,28)
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n/an/a 1.45E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50117948
PNG
(CHEMBL365207)
Show SMILES COc1ccc(\C=C\CSSC\C=C\c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C25H25N3O2/c1-4-29-23-14-21-22(15-24(23)30-5-2)26-16-27-25(21)28-20-11-7-10-19(13-20)18-9-6-8-17(3)12-18/h6-16H,4-5H2,1-3H3,(H,26,27,28)
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n/an/a 8.29E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		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 8.71E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50117946
PNG
(CHEMBL3612620)
Show SMILES Oc1ccc(\C=C\CSSC\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C24H26N4O3S/c1-5-29-21-9-8-16(20-13-32-15(4)27-20)10-19(21)28-24-17-11-22(30-6-2)23(31-7-3)12-18(17)25-14-26-24/h8-14H,5-7H2,1-4H3,(H,25,26,28)
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n/an/a 1.23E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50117941
PNG
(CHEMBL3612823)
Show SMILES COc1cc(\C=C\C(=O)SSC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C18H14N4S/c1-12-21-17(10-23-12)13-5-4-6-14(9-13)22-18-15-7-2-3-8-16(15)19-11-20-18/h2-11H,1H3,(H,19,20,22)
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n/an/a 1.29E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50117962
PNG
(CHEMBL3612822)
Show SMILES COc1ccc(\C=C\C(=O)SSC(=O)\C=C\c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C23H24N4O3S/c1-4-29-20-10-17-18(11-21(20)30-5-2)24-14-25-23(17)26-16-8-6-7-15(9-16)19-13-31-22(27-19)12-28-3/h6-11,13-14H,4-5,12H2,1-3H3,(H,24,25,26)
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n/an/a 1.36E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50117942
PNG
(CHEMBL3612824)
Show SMILES COc1ccc(\C=C\C(=O)SSC(=O)\C=C\c2ccc(OC)cc2OC)c(OC)c1
Show InChI InChI=1S/C24H27N5O2S/c1-4-30-21-12-18-19(13-22(21)31-5-2)28-23(9-10-25)29-24(18)27-17-8-6-7-16(11-17)20-14-32-15(3)26-20/h6-8,11-14H,4-5,9-10,25H2,1-3H3,(H,27,28,29)
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n/an/a 1.49E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50117959
PNG
(CHEMBL3612821)
Show SMILES COc1ccc(\C=C\C(=O)SSC(=O)\C=C\c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C23H22N4O2/c1-3-28-21-12-19-20(13-22(21)29-4-2)25-15-26-23(19)27-18-9-5-7-16(11-18)17-8-6-10-24-14-17/h5-15H,3-4H2,1-2H3,(H,25,26,27)
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50117963
PNG
(CHEMBL3612619)
Show SMILES Brc1ccc(\C=C\CSSC\C=C\c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C22H20N4O4S/c1-3-29-18-9-15-16(10-19(18)30-4-2)23-12-24-20(15)25-14-7-5-6-13(8-14)17-11-31-21(26-17)22(27)28/h5-12H,3-4H2,1-2H3,(H,27,28)(H,23,24,25)
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n/an/a 2.09E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50117964
PNG
(CHEMBL3612618)
Show SMILES Brc1cccc(\C=C\CSSC\C=C\c2cccc(Br)c2)c1
Show InChI InChI=1S/C25H27ClN4O2S/c1-4-31-22-13-19-20(14-23(22)32-5-2)29-24(10-7-11-26)30-25(19)28-18-9-6-8-17(12-18)21-15-33-16(3)27-21/h6,8-9,12-15H,4-5,7,10-11H2,1-3H3,(H,28,29,30)
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n/an/a 2.37E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50117958
PNG
(CHEMBL3612820)
Show SMILES Oc1ccc(\C=C\C(=O)SSC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H21N3O3/c1-4-25-18-10-16-17(11-19(18)26-5-2)21-12-22-20(16)23-15-8-6-7-14(9-15)13(3)24/h6-12H,4-5H2,1-3H3,(H,21,22,23)
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n/an/a 2.45E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50117951
PNG
(CHEMBL3612816)
Show SMILES Fc1ccc(\C=C\C(=O)SSC(=O)\C=C\c2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H29N5O2S/c1-5-26-14-24-29-20-13-23(32-7-3)22(31-6-2)12-19(20)25(30-24)28-18-10-8-9-17(11-18)21-15-33-16(4)27-21/h8-13,15,26H,5-7,14H2,1-4H3,(H,28,29,30)
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n/an/a 3.24E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50117953
PNG
(CHEMBL3612817)
Show SMILES Clc1ccc(\C=C\C(=O)SSC(=O)\C=C\c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H30N4O2S/c1-6-31-23-13-20-21(14-24(23)32-7-2)29-25(11-16(3)4)30-26(20)28-19-10-8-9-18(12-19)22-15-33-17(5)27-22/h8-10,12-16H,6-7,11H2,1-5H3,(H,28,29,30)
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n/an/a 3.56E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50117965
PNG
(CHEMBL3612617)
Show SMILES Clc1ccc(\C=C\CSSC\C=C\c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H24N4O2S/c1-5-14(2)29-22-11-19-18(10-21(22)28-4)23(25-13-24-19)27-17-8-6-7-16(9-17)20-12-30-15(3)26-20/h6-14H,5H2,1-4H3,(H,24,25,27)
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n/an/a 3.70E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50117956
PNG
(CHEMBL3612819)
Show SMILES Brc1ccc(\C=C\C(=O)SSC(=O)\C=C\c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C22H21ClN4O2S/c1-4-28-20-9-15-17(10-21(20)29-5-2)24-12-25-22(15)27-18-8-14(6-7-16(18)23)19-11-30-13(3)26-19/h6-12H,4-5H2,1-3H3,(H,24,25,27)
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n/an/a 3.72E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50117954
PNG
(CHEMBL3612818)
Show SMILES Brc1cccc(\C=C\C(=O)SSC(=O)\C=C\c2cccc(Br)c2)c1
Show InChI InChI=1S/C25H25N3O2/c1-4-29-23-14-21-22(15-24(23)30-5-2)26-16-27-25(21)28-20-8-6-7-19(13-20)18-11-9-17(3)10-12-18/h6-16H,4-5H2,1-3H3,(H,26,27,28)
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n/an/a 3.87E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50117966
PNG
(CHEMBL3612616)
Show SMILES Fc1cccc(F)c1\C=C\CSSC\C=C\c1c(F)cccc1F
Show InChI InChI=1S/C27H24N4O2S/c1-3-32-24-14-21-22(15-25(24)33-4-2)28-17-29-26(21)30-20-12-8-11-19(13-20)23-16-34-27(31-23)18-9-6-5-7-10-18/h5-17H,3-4H2,1-2H3,(H,28,29,30)
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n/an/a 4.23E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50117943
PNG
(CHEMBL3612614)
Show SMILES Clc1cccc(\C=C\CSSC\C=C\c2cccc(Cl)c2)c1
Show InChI InChI=1S/C22H21BrN4O2S/c1-4-28-20-9-15-17(10-21(20)29-5-2)24-12-25-22(15)27-18-8-14(6-7-16(18)23)19-11-30-13(3)26-19/h6-12H,4-5H2,1-3H3,(H,24,25,27)
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n/an/a 4.42E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50117945
PNG
(CHEMBL3612612)
Show SMILES Fc1ccccc1\C=C\CSSC\C=C\c1ccccc1F
Show InChI InChI=1S/C23H25N5O2S/c1-4-29-20-10-17-18(11-21(20)30-5-2)27-22(12-24)28-23(17)26-16-8-6-7-15(9-16)19-13-31-14(3)25-19/h6-11,13H,4-5,12,24H2,1-3H3,(H,26,27,28)
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n/an/a 4.87E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50117944
PNG
(CHEMBL3612613)
Show SMILES Fc1cccc(\C=C\CSSC\C=C\c2cccc(F)c2)c1
Show InChI InChI=1S/C22H22N4O2S/c1-4-8-28-21-11-18-17(10-20(21)27-3)22(24-13-23-18)26-16-7-5-6-15(9-16)19-12-29-14(2)25-19/h5-7,9-13H,4,8H2,1-3H3,(H,23,24,26)
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n/an/a 5.32E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50117949
PNG
(CHEMBL3612621)
Show SMILES COc1ccc(\C=C\CSSC\C=C\c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C23H24N4O2S/c1-4-5-9-29-22-11-18-19(12-21(22)28-3)24-14-25-23(18)27-17-8-6-7-16(10-17)20-13-30-15(2)26-20/h6-8,10-14H,4-5,9H2,1-3H3,(H,24,25,27)
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n/an/a 5.52E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50117950
PNG
(CHEMBL3612815)
Show SMILES COc1cc(\C=C\CSSC\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C24H26N4O3S/c1-5-29-20-12-18-21(23(31-7-3)22(20)30-6-2)25-14-26-24(18)28-17-10-8-9-16(11-17)19-13-32-15(4)27-19/h8-14H,5-7H2,1-4H3,(H,25,26,28)
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n/an/a 5.79E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50117948
PNG
(CHEMBL365207)
Show SMILES COc1ccc(\C=C\CSSC\C=C\c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C25H25N3O2/c1-4-29-23-14-21-22(15-24(23)30-5-2)26-16-27-25(21)28-20-11-7-10-19(13-20)18-9-6-8-17(3)12-18/h6-16H,4-5H2,1-3H3,(H,26,27,28)
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n/an/a 5.95E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50117946
PNG
(CHEMBL3612620)
Show SMILES Oc1ccc(\C=C\CSSC\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C24H26N4O3S/c1-5-29-21-9-8-16(20-13-32-15(4)27-20)10-19(21)28-24-17-11-22(30-6-2)23(31-7-3)12-18(17)25-14-26-24/h8-14H,5-7H2,1-4H3,(H,25,26,28)
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n/an/a 6.30E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50117967
PNG
(CHEMBL3612615)
Show SMILES Clc1cc(Cl)cc(\C=C\CSSC\C=C\c2cc(Cl)cc(Cl)c2)c1
Show InChI InChI=1S/C22H23N5O2S/c1-4-28-19-10-16-17(11-20(19)29-5-2)24-13-25-21(16)26-15-8-6-7-14(9-15)18-12-30-22(23-3)27-18/h6-13H,4-5H2,1-3H3,(H,23,27)(H,24,25,26)
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n/an/a 6.46E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50117963
PNG
(CHEMBL3612619)
Show SMILES Brc1ccc(\C=C\CSSC\C=C\c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C22H20N4O4S/c1-3-29-18-9-15-16(10-19(18)30-4-2)23-12-24-20(15)25-14-7-5-6-13(8-14)17-11-31-21(26-17)22(27)28/h5-12H,3-4H2,1-2H3,(H,27,28)(H,23,24,25)
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n/an/a 7.25E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50117964
PNG
(CHEMBL3612618)
Show SMILES Brc1cccc(\C=C\CSSC\C=C\c2cccc(Br)c2)c1
Show InChI InChI=1S/C25H27ClN4O2S/c1-4-31-22-13-19-20(14-23(22)32-5-2)29-24(10-7-11-26)30-25(19)28-18-9-6-8-17(12-18)21-15-33-16(3)27-21/h6,8-9,12-15H,4-5,7,10-11H2,1-3H3,(H,28,29,30)
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n/an/a 7.54E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50117965
PNG
(CHEMBL3612617)
Show SMILES Clc1ccc(\C=C\CSSC\C=C\c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H24N4O2S/c1-5-14(2)29-22-11-19-18(10-21(22)28-4)23(25-13-24-19)27-17-8-6-7-16(9-17)20-12-30-15(3)26-20/h6-14H,5H2,1-4H3,(H,24,25,27)
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n/an/a 9.42E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50117966
PNG
(CHEMBL3612616)
Show SMILES Fc1cccc(F)c1\C=C\CSSC\C=C\c1c(F)cccc1F
Show InChI InChI=1S/C27H24N4O2S/c1-3-32-24-14-21-22(15-25(24)33-4-2)28-17-29-26(21)30-20-12-8-11-19(13-20)23-16-34-27(31-23)18-9-6-5-7-10-18/h5-17H,3-4H2,1-2H3,(H,28,29,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50117945
PNG
(CHEMBL3612612)
Show SMILES Fc1ccccc1\C=C\CSSC\C=C\c1ccccc1F
Show InChI InChI=1S/C23H25N5O2S/c1-4-29-20-10-17-18(11-21(20)30-5-2)27-22(12-24)28-23(17)26-16-8-6-7-15(9-16)19-13-31-14(3)25-19/h6-11,13H,4-5,12,24H2,1-3H3,(H,26,27,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50117944
PNG
(CHEMBL3612613)
Show SMILES Fc1cccc(\C=C\CSSC\C=C\c2cccc(F)c2)c1
Show InChI InChI=1S/C22H22N4O2S/c1-4-8-28-21-11-18-17(10-20(21)27-3)22(24-13-23-18)26-16-7-5-6-15(9-16)19-12-29-14(2)25-19/h5-7,9-13H,4,8H2,1-3H3,(H,23,24,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50117967
PNG
(CHEMBL3612615)
Show SMILES Clc1cc(Cl)cc(\C=C\CSSC\C=C\c2cc(Cl)cc(Cl)c2)c1
Show InChI InChI=1S/C22H23N5O2S/c1-4-28-19-10-16-17(11-20(19)29-5-2)24-13-25-21(16)26-15-8-6-7-14(9-15)18-12-30-22(23-3)27-18/h6-13H,4-5H2,1-3H3,(H,23,27)(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50117943
PNG
(CHEMBL3612614)
Show SMILES Clc1cccc(\C=C\CSSC\C=C\c2cccc(Cl)c2)c1
Show InChI InChI=1S/C22H21BrN4O2S/c1-4-28-20-9-15-17(10-21(20)29-5-2)24-12-25-22(15)27-18-8-14(6-7-16(18)23)19-11-30-13(3)26-19/h6-12H,4-5H2,1-3H3,(H,24,25,27)
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using DTNB as substrate incubated for 5 mins prior to substrate addition measured after 2 mins by Ellman's method

Bioorg Med Chem 23: 6389-403 (2015)


Article DOI: 10.1016/j.bmc.2015.08.024
BindingDB Entry DOI: 10.7270/Q2W097QD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%