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PubMed code 21975066

Compile data set for download or QSAR
Found 59 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
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359284
PNG
(CHEMBL1928379)
Show SMILES CC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
Show InChI InChI=1S/C15H15N3O4/c1-10(19)22-12-4-2-11(3-5-12)9-21-15(20)18-14-6-7-17-8-13(14)16/h2-8H,9,16H2,1H3,(H,17,18,20)
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 1.60E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359293
PNG
(CHEMBL1928397)
Show SMILES CC(C)OC(=O)CCC(=O)Nc1ccncc1N
Show InChI InChI=1S/C12H17N3O3/c1-8(2)18-12(17)4-3-11(16)15-10-5-6-14-7-9(10)13/h5-8H,3-4,13H2,1-2H3,(H,14,15,16)
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 3.20E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359287
PNG
(CHEMBL1928382)
Show SMILES CC(C)C(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
Show InChI InChI=1S/C17H19N3O4/c1-11(2)16(21)24-13-5-3-12(4-6-13)10-23-17(22)20-15-7-8-19-9-14(15)18/h3-9,11H,10,18H2,1-2H3,(H,19,20,22)
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 3.90E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359285
PNG
(CHEMBL1928380)
Show SMILES CCC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
Show InChI InChI=1S/C16H17N3O4/c1-2-15(20)23-12-5-3-11(4-6-12)10-22-16(21)19-14-7-8-18-9-13(14)17/h3-9H,2,10,17H2,1H3,(H,18,19,21)
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 5.70E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359289
PNG
(CHEMBL1928384)
Show SMILES Nc1cnccc1NC(=O)OCc1ccc(OC(=O)C2CCCC2)cc1
Show InChI InChI=1S/C19H21N3O4/c20-16-11-21-10-9-17(16)22-19(24)25-12-13-5-7-15(8-6-13)26-18(23)14-3-1-2-4-14/h5-11,14H,1-4,12,20H2,(H,21,22,24)
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 6.80E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359284
PNG
(CHEMBL1928379)
Show SMILES CC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
Show InChI InChI=1S/C15H15N3O4/c1-10(19)22-12-4-2-11(3-5-12)9-21-15(20)18-14-6-7-17-8-13(14)16/h2-8H,9,16H2,1H3,(H,17,18,20)
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 1.09E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359286
PNG
(CHEMBL1928381)
Show SMILES CCCC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
Show InChI InChI=1S/C17H19N3O4/c1-2-3-16(21)24-13-6-4-12(5-7-13)11-23-17(22)20-15-8-9-19-10-14(15)18/h4-10H,2-3,11,18H2,1H3,(H,19,20,22)
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 1.21E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359286
PNG
(CHEMBL1928381)
Show SMILES CCCC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
Show InChI InChI=1S/C17H19N3O4/c1-2-3-16(21)24-13-6-4-12(5-7-13)11-23-17(22)20-15-8-9-19-10-14(15)18/h4-10H,2-3,11,18H2,1H3,(H,19,20,22)
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 1.44E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359285
PNG
(CHEMBL1928380)
Show SMILES CCC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
Show InChI InChI=1S/C16H17N3O4/c1-2-15(20)23-12-5-3-11(4-6-12)10-22-16(21)19-14-7-8-18-9-13(14)17/h3-9H,2,10,17H2,1H3,(H,18,19,21)
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 2.50E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359294
PNG
(CHEMBL1928387)
Show SMILES Nc1cnccc1NC(=O)OCc1ccc(OC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C21H19N3O4/c22-18-13-23-11-10-19(18)24-21(26)27-14-16-6-8-17(9-7-16)28-20(25)12-15-4-2-1-3-5-15/h1-11,13H,12,14,22H2,(H,23,24,26)
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 3.07E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359292
PNG
(CHEMBL1928393)
Show SMILES CC(=O)Nc1ccncc1N
Show InChI InChI=1S/C7H9N3O/c1-5(11)10-7-2-3-9-4-6(7)8/h2-4H,8H2,1H3,(H,9,10,11)
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 3.25E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359289
PNG
(CHEMBL1928384)
Show SMILES Nc1cnccc1NC(=O)OCc1ccc(OC(=O)C2CCCC2)cc1
Show InChI InChI=1S/C19H21N3O4/c20-16-11-21-10-9-17(16)22-19(24)25-12-13-5-7-15(8-6-13)26-18(23)14-3-1-2-4-14/h5-11,14H,1-4,12,20H2,(H,21,22,24)
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 3.72E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359288
PNG
(CHEMBL1928383)
Show SMILES CC(C)CC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
Show InChI InChI=1S/C18H21N3O4/c1-12(2)9-17(22)25-14-5-3-13(4-6-14)11-24-18(23)21-16-7-8-20-10-15(16)19/h3-8,10,12H,9,11,19H2,1-2H3,(H,20,21,23)
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 3.84E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359287
PNG
(CHEMBL1928382)
Show SMILES CC(C)C(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
Show InChI InChI=1S/C17H19N3O4/c1-11(2)16(21)24-13-5-3-12(4-6-13)10-23-17(22)20-15-7-8-19-9-14(15)18/h3-9,11H,10,18H2,1-2H3,(H,19,20,22)
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 4.20E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359288
PNG
(CHEMBL1928383)
Show SMILES CC(C)CC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
Show InChI InChI=1S/C18H21N3O4/c1-12(2)9-17(22)25-14-5-3-13(4-6-14)11-24-18(23)21-16-7-8-20-10-15(16)19/h3-8,10,12H,9,11,19H2,1-2H3,(H,20,21,23)
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 5.54E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359293
PNG
(CHEMBL1928397)
Show SMILES CC(C)OC(=O)CCC(=O)Nc1ccncc1N
Show InChI InChI=1S/C12H17N3O3/c1-8(2)18-12(17)4-3-11(16)15-10-5-6-14-7-9(10)13/h5-8H,3-4,13H2,1-2H3,(H,14,15,16)
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 6.20E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359292
PNG
(CHEMBL1928393)
Show SMILES CC(=O)Nc1ccncc1N
Show InChI InChI=1S/C7H9N3O/c1-5(11)10-7-2-3-9-4-6(7)8/h2-4H,8H2,1H3,(H,9,10,11)
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 1.73E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359291
PNG
(CHEMBL1928391)
Show SMILES COC(=O)Nc1ccncc1NC(=O)OC
Show InChI InChI=1S/C9H11N3O4/c1-15-8(13)11-6-3-4-10-5-7(6)12-9(14)16-2/h3-5H,1-2H3,(H,12,14)(H,10,11,13)
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>5.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359290
PNG
(CHEMBL1928389)
Show SMILES CC(C)C(=O)OCCOC(=O)Nc1ccncc1N
Show InChI InChI=1S/C12H17N3O4/c1-8(2)11(16)18-5-6-19-12(17)15-10-3-4-14-7-9(10)13/h3-4,7-8H,5-6,13H2,1-2H3,(H,14,15,17)
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>5.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359290
PNG
(CHEMBL1928389)
Show SMILES CC(C)C(=O)OCCOC(=O)Nc1ccncc1N
Show InChI InChI=1S/C12H17N3O4/c1-8(2)11(16)18-5-6-19-12(17)15-10-3-4-14-7-9(10)13/h3-4,7-8H,5-6,13H2,1-2H3,(H,14,15,17)
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>5.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359291
PNG
(CHEMBL1928391)
Show SMILES COC(=O)Nc1ccncc1NC(=O)OC
Show InChI InChI=1S/C9H11N3O4/c1-15-8(13)11-6-3-4-10-5-7(6)12-9(14)16-2/h3-5H,1-2H3,(H,12,14)(H,10,11,13)
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>5.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359285
PNG
(CHEMBL1928380)
Show SMILES CCC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
Show InChI InChI=1S/C16H17N3O4/c1-2-15(20)23-12-5-3-11(4-6-12)10-22-16(21)19-14-7-8-18-9-13(14)17/h3-9H,2,10,17H2,1H3,(H,18,19,21)
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n/an/a 5.20E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359287
PNG
(CHEMBL1928382)
Show SMILES CC(C)C(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
Show InChI InChI=1S/C17H19N3O4/c1-11(2)16(21)24-13-5-3-12(4-6-13)10-23-17(22)20-15-7-8-19-9-14(15)18/h3-9,11H,10,18H2,1-2H3,(H,19,20,22)
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n/an/a 8.50E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359284
PNG
(CHEMBL1928379)
Show SMILES CC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
Show InChI InChI=1S/C15H15N3O4/c1-10(19)22-12-4-2-11(3-5-12)9-21-15(20)18-14-6-7-17-8-13(14)16/h2-8H,9,16H2,1H3,(H,17,18,20)
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n/an/a 1.06E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359289
PNG
(CHEMBL1928384)
Show SMILES Nc1cnccc1NC(=O)OCc1ccc(OC(=O)C2CCCC2)cc1
Show InChI InChI=1S/C19H21N3O4/c20-16-11-21-10-9-17(16)22-19(24)25-12-13-5-7-15(8-6-13)26-18(23)14-3-1-2-4-14/h5-11,14H,1-4,12,20H2,(H,21,22,24)
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n/an/a 1.16E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359288
PNG
(CHEMBL1928383)
Show SMILES CC(C)CC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
Show InChI InChI=1S/C18H21N3O4/c1-12(2)9-17(22)25-14-5-3-13(4-6-14)11-24-18(23)21-16-7-8-20-10-15(16)19/h3-8,10,12H,9,11,19H2,1-2H3,(H,20,21,23)
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n/an/a 1.19E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359290
PNG
(CHEMBL1928389)
Show SMILES CC(C)C(=O)OCCOC(=O)Nc1ccncc1N
Show InChI InChI=1S/C12H17N3O4/c1-8(2)11(16)18-5-6-19-12(17)15-10-3-4-14-7-9(10)13/h3-4,7-8H,5-6,13H2,1-2H3,(H,14,15,17)
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n/an/a 2.59E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359294
PNG
(CHEMBL1928387)
Show SMILES Nc1cnccc1NC(=O)OCc1ccc(OC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C21H19N3O4/c22-18-13-23-11-10-19(18)24-21(26)27-14-16-6-8-17(9-7-16)28-20(25)12-15-4-2-1-3-5-15/h1-11,13H,12,14,22H2,(H,23,24,26)
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n/an/a 3.22E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359300
PNG
(CHEMBL1928394)
Show SMILES CC(=O)Nc1ccncc1NC(C)=O
Show InChI InChI=1S/C9H11N3O2/c1-6(13)11-8-3-4-10-5-9(8)12-7(2)14/h3-5H,1-2H3,(H,12,14)(H,10,11,13)
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n/an/a 3.42E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359291
PNG
(CHEMBL1928391)
Show SMILES COC(=O)Nc1ccncc1NC(=O)OC
Show InChI InChI=1S/C9H11N3O4/c1-15-8(13)11-6-3-4-10-5-7(6)12-9(14)16-2/h3-5H,1-2H3,(H,12,14)(H,10,11,13)
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n/an/a 3.63E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359299
PNG
(CHEMBL1928392)
Show SMILES COC(=O)Nc1ccncc1N
Show InChI InChI=1S/C7H9N3O2/c1-12-7(11)10-6-2-3-9-4-5(6)8/h2-4H,8H2,1H3,(H,9,10,11)
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n/an/a 4.56E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359286
PNG
(CHEMBL1928381)
Show SMILES CCCC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
Show InChI InChI=1S/C17H19N3O4/c1-2-3-16(21)24-13-6-4-12(5-7-13)11-23-17(22)20-15-8-9-19-10-14(15)18/h4-10H,2-3,11,18H2,1H3,(H,19,20,22)
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n/an/a 4.88E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359284
PNG
(CHEMBL1928379)
Show SMILES CC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
Show InChI InChI=1S/C15H15N3O4/c1-10(19)22-12-4-2-11(3-5-12)9-21-15(20)18-14-6-7-17-8-13(14)16/h2-8H,9,16H2,1H3,(H,17,18,20)
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n/an/a 4.94E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359292
PNG
(CHEMBL1928393)
Show SMILES CC(=O)Nc1ccncc1N
Show InChI InChI=1S/C7H9N3O/c1-5(11)10-7-2-3-9-4-6(7)8/h2-4H,8H2,1H3,(H,9,10,11)
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n/an/a 6.13E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359296
PNG
(CHEMBL1928386)
Show SMILES COc1cccc(c1)C(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
Show InChI InChI=1S/C21H19N3O5/c1-27-17-4-2-3-15(11-17)20(25)29-16-7-5-14(6-8-16)13-28-21(26)24-19-9-10-23-12-18(19)22/h2-12H,13,22H2,1H3,(H,23,24,26)
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n/an/a 6.17E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359290
PNG
(CHEMBL1928389)
Show SMILES CC(C)C(=O)OCCOC(=O)Nc1ccncc1N
Show InChI InChI=1S/C12H17N3O4/c1-8(2)11(16)18-5-6-19-12(17)15-10-3-4-14-7-9(10)13/h3-4,7-8H,5-6,13H2,1-2H3,(H,14,15,17)
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n/an/a 6.19E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359289
PNG
(CHEMBL1928384)
Show SMILES Nc1cnccc1NC(=O)OCc1ccc(OC(=O)C2CCCC2)cc1
Show InChI InChI=1S/C19H21N3O4/c20-16-11-21-10-9-17(16)22-19(24)25-12-13-5-7-15(8-6-13)26-18(23)14-3-1-2-4-14/h5-11,14H,1-4,12,20H2,(H,21,22,24)
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n/an/a 7.75E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359288
PNG
(CHEMBL1928383)
Show SMILES CC(C)CC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
Show InChI InChI=1S/C18H21N3O4/c1-12(2)9-17(22)25-14-5-3-13(4-6-14)11-24-18(23)21-16-7-8-20-10-15(16)19/h3-8,10,12H,9,11,19H2,1-2H3,(H,20,21,23)
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n/an/a 8.77E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359293
PNG
(CHEMBL1928397)
Show SMILES CC(C)OC(=O)CCC(=O)Nc1ccncc1N
Show InChI InChI=1S/C12H17N3O3/c1-8(2)18-12(17)4-3-11(16)15-10-5-6-14-7-9(10)13/h5-8H,3-4,13H2,1-2H3,(H,14,15,16)
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n/an/a 8.83E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359293
PNG
(CHEMBL1928397)
Show SMILES CC(C)OC(=O)CCC(=O)Nc1ccncc1N
Show InChI InChI=1S/C12H17N3O3/c1-8(2)18-12(17)4-3-11(16)15-10-5-6-14-7-9(10)13/h5-8H,3-4,13H2,1-2H3,(H,14,15,16)
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n/an/a 9.74E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359286
PNG
(CHEMBL1928381)
Show SMILES CCCC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
Show InChI InChI=1S/C17H19N3O4/c1-2-3-16(21)24-13-6-4-12(5-7-13)11-23-17(22)20-15-8-9-19-10-14(15)18/h4-10H,2-3,11,18H2,1H3,(H,19,20,22)
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n/an/a 1.12E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359287
PNG
(CHEMBL1928382)
Show SMILES CC(C)C(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
Show InChI InChI=1S/C17H19N3O4/c1-11(2)16(21)24-13-5-3-12(4-6-13)10-23-17(22)20-15-7-8-19-9-14(15)18/h3-9,11H,10,18H2,1-2H3,(H,19,20,22)
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n/an/a 1.22E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359285
PNG
(CHEMBL1928380)
Show SMILES CCC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
Show InChI InChI=1S/C16H17N3O4/c1-2-15(20)23-12-5-3-11(4-6-12)10-22-16(21)19-14-7-8-18-9-13(14)17/h3-9H,2,10,17H2,1H3,(H,18,19,21)
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n/an/a 1.29E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359294
PNG
(CHEMBL1928387)
Show SMILES Nc1cnccc1NC(=O)OCc1ccc(OC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C21H19N3O4/c22-18-13-23-11-10-19(18)24-21(26)27-14-16-6-8-17(9-7-16)28-20(25)12-15-4-2-1-3-5-15/h1-11,13H,12,14,22H2,(H,23,24,26)
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n/an/a 1.36E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359296
PNG
(CHEMBL1928386)
Show SMILES COc1cccc(c1)C(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
Show InChI InChI=1S/C21H19N3O5/c1-27-17-4-2-3-15(11-17)20(25)29-16-7-5-14(6-8-16)13-28-21(26)24-19-9-10-23-12-18(19)22/h2-12H,13,22H2,1H3,(H,23,24,26)
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n/an/a 1.63E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359295
PNG
(CHEMBL1928385)
Show SMILES Nc1cnccc1NC(=O)OCc1ccc(OC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C20H17N3O4/c21-17-12-22-11-10-18(17)23-20(25)26-13-14-6-8-16(9-7-14)27-19(24)15-4-2-1-3-5-15/h1-12H,13,21H2,(H,22,23,25)
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n/an/a 1.67E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359295
PNG
(CHEMBL1928385)
Show SMILES Nc1cnccc1NC(=O)OCc1ccc(OC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C20H17N3O4/c21-17-12-22-11-10-18(17)23-20(25)26-13-14-6-8-16(9-7-14)27-19(24)15-4-2-1-3-5-15/h1-12H,13,21H2,(H,22,23,25)
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n/an/a 3.92E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359300
PNG
(CHEMBL1928394)
Show SMILES CC(=O)Nc1ccncc1NC(C)=O
Show InChI InChI=1S/C9H11N3O2/c1-6(13)11-8-3-4-10-5-9(8)12-7(2)14/h3-5H,1-2H3,(H,12,14)(H,10,11,13)
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n/an/a 4.04E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359291
PNG
(CHEMBL1928391)
Show SMILES COC(=O)Nc1ccncc1NC(=O)OC
Show InChI InChI=1S/C9H11N3O4/c1-15-8(13)11-6-3-4-10-5-7(6)12-9(14)16-2/h3-5H,1-2H3,(H,12,14)(H,10,11,13)
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n/an/a 4.17E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359299
PNG
(CHEMBL1928392)
Show SMILES COC(=O)Nc1ccncc1N
Show InChI InChI=1S/C7H9N3O2/c1-12-7(11)10-6-2-3-9-4-5(6)8/h2-4H,8H2,1H3,(H,9,10,11)
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n/an/a 4.91E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359297
PNG
(CHEMBL1928388)
Show SMILES CC(C)C(=O)OCc1ccccc1COC(=O)Nc1ccncc1N
Show InChI InChI=1S/C18H21N3O4/c1-12(2)17(22)24-10-13-5-3-4-6-14(13)11-25-18(23)21-16-7-8-20-9-15(16)19/h3-9,12H,10-11,19H2,1-2H3,(H,20,21,23)
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n/an/a 4.96E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359302
PNG
(CHEMBL1928396)
Show SMILES Nc1cnccc1NC(=O)C1CCCC1
Show InChI InChI=1S/C11H15N3O/c12-9-7-13-6-5-10(9)14-11(15)8-3-1-2-4-8/h5-8H,1-4,12H2,(H,13,14,15)
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n/an/a>5.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359301
PNG
(CHEMBL1928395)
Show SMILES Nc1cnccc1NC(=O)c1ccccc1
Show InChI InChI=1S/C12H11N3O/c13-10-8-14-7-6-11(10)15-12(16)9-4-2-1-3-5-9/h1-8H,13H2,(H,14,15,16)
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n/an/a>5.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359298
PNG
(CHEMBL1928390)
Show SMILES COC(=O)Nc1cnccc1N
Show InChI InChI=1S/C7H9N3O2/c1-12-7(11)10-6-4-9-3-2-5(6)8/h2-4H,1H3,(H2,8,9)(H,10,11)
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n/an/a>5.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359297
PNG
(CHEMBL1928388)
Show SMILES CC(C)C(=O)OCc1ccccc1COC(=O)Nc1ccncc1N
Show InChI InChI=1S/C18H21N3O4/c1-12(2)17(22)24-10-13-5-3-4-6-14(13)11-25-18(23)21-16-7-8-20-9-15(16)19/h3-9,12H,10-11,19H2,1-2H3,(H,20,21,23)
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n/an/a>5.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50359301
PNG
(CHEMBL1928395)
Show SMILES Nc1cnccc1NC(=O)c1ccccc1
Show InChI InChI=1S/C12H11N3O/c13-10-8-14-7-6-11(10)15-12(16)9-4-2-1-3-5-9/h1-8H,13H2,(H,14,15,16)
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n/an/a>5.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359302
PNG
(CHEMBL1928396)
Show SMILES Nc1cnccc1NC(=O)C1CCCC1
Show InChI InChI=1S/C11H15N3O/c12-9-7-13-6-5-10(9)14-11(15)8-3-1-2-4-8/h5-8H,1-4,12H2,(H,13,14,15)
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n/an/a>5.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359298
PNG
(CHEMBL1928390)
Show SMILES COC(=O)Nc1cnccc1N
Show InChI InChI=1S/C7H9N3O2/c1-12-7(11)10-6-4-9-3-2-5(6)8/h2-4H,1H3,(H2,8,9)(H,10,11)
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n/an/a>5.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM50359292
PNG
(CHEMBL1928393)
Show SMILES CC(=O)Nc1ccncc1N
Show InChI InChI=1S/C7H9N3O/c1-5(11)10-7-2-3-9-4-6(7)8/h2-4H,8H2,1H3,(H,9,10,11)
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n/an/a>5.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay

Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%