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Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50045739   
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
Cholinesterase


(Equus caballus (Horse))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 499n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
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 3.31E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079207
PNG
(CHEMBL3416665)
Show SMILES CCN(CC)C(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCCN(C)C)cc1
Show InChI InChI=1S/C25H30N2O5/c1-5-27(6-2)25(29)31-20-12-13-21-22(17-20)32-23(24(21)28)16-18-8-10-19(11-9-18)30-15-7-14-26(3)4/h8-13,16-17H,5-7,14-15H2,1-4H3/b23-16-
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n/an/a 6.10E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079189
PNG
(CHEMBL3416658)
Show SMILES COc1cc(\C=C2/Oc3cc(OCCN4CCCCC4)ccc3C2=O)cc(OC)c1OC
Show InChI InChI=1S/C25H29NO6/c1-28-22-14-17(15-23(29-2)25(22)30-3)13-21-24(27)19-8-7-18(16-20(19)32-21)31-12-11-26-9-5-4-6-10-26/h7-8,13-16H,4-6,9-12H2,1-3H3/b21-13-
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n/an/a 6.15E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079193
PNG
(CHEMBL3416654)
Show SMILES COc1ccc(\C=C2/Oc3cc(OCCN4CCCCC4)ccc3C2=O)cc1
Show InChI InChI=1S/C23H25NO4/c1-26-18-7-5-17(6-8-18)15-22-23(25)20-10-9-19(16-21(20)28-22)27-14-13-24-11-3-2-4-12-24/h5-10,15-16H,2-4,11-14H2,1H3/b22-15-
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n/an/a 6.87E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079213
PNG
(CHEMBL3416662)
Show SMILES CCN(CC)C(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C27H32N2O5/c1-3-29(4-2)27(31)33-22-12-13-23-24(19-22)34-25(26(23)30)18-20-8-10-21(11-9-20)32-17-16-28-14-6-5-7-15-28/h8-13,18-19H,3-7,14-17H2,1-2H3/b25-18-
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n/an/a 7.17E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079194
PNG
(CHEMBL3416653)
Show SMILES COc1ccc(\C=C2/Oc3cc(OCCN4CCCC4)ccc3C2=O)cc1
Show InChI InChI=1S/C22H23NO4/c1-25-17-6-4-16(5-7-17)14-21-22(24)19-9-8-18(15-20(19)27-21)26-13-12-23-10-2-3-11-23/h4-9,14-15H,2-3,10-13H2,1H3/b21-14-
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n/an/a 7.19E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079186
PNG
(CHEMBL3416661)
Show SMILES CCN(CC)C(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C26H30N2O5/c1-3-28(4-2)26(30)32-21-11-12-22-23(18-21)33-24(25(22)29)17-19-7-9-20(10-8-19)31-16-15-27-13-5-6-14-27/h7-12,17-18H,3-6,13-16H2,1-2H3/b24-17-
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n/an/a 7.40E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079203
PNG
(CHEMBL3416669)
Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCN2CCCCC2)c(Cl)c1
Show InChI InChI=1S/C23H24ClNO4/c1-27-17-6-7-18-21(15-17)29-22(23(18)26)14-16-5-8-20(19(24)13-16)28-12-11-25-9-3-2-4-10-25/h5-8,13-15H,2-4,9-12H2,1H3/b22-14-
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n/an/a 7.90E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079200
PNG
(CHEMBL3416672)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCN2CCCC2)cc1Cl
Show InChI InChI=1S/C21H20ClNO4/c22-18-13-16(26-10-9-23-7-1-2-8-23)5-3-14(18)11-20-21(25)17-6-4-15(24)12-19(17)27-20/h3-6,11-13,24H,1-2,7-10H2/b20-11-
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n/an/a 8.68E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079116
PNG
(CHEMBL3416645)
Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H25NO4/c1-26-19-9-10-20-21(16-19)28-22(23(20)25)15-17-5-7-18(8-6-17)27-14-13-24-11-3-2-4-12-24/h5-10,15-16H,2-4,11-14H2,1H3/b22-15-
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n/an/a 8.87E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079187
PNG
(CHEMBL3416660)
Show SMILES CCN(CC)C(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C24H28N2O5/c1-5-26(6-2)24(28)30-19-11-12-20-21(16-19)31-22(23(20)27)15-17-7-9-18(10-8-17)29-14-13-25(3)4/h7-12,15-16H,5-6,13-14H2,1-4H3/b22-15-
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n/an/a 9.69E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079204
PNG
(CHEMBL3416668)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCN2CCCC2)c(Cl)c1
Show InChI InChI=1S/C21H20ClNO4/c22-17-11-14(3-6-18(17)26-10-9-23-7-1-2-8-23)12-20-21(25)16-5-4-15(24)13-19(16)27-20/h3-6,11-13,24H,1-2,7-10H2/b20-12-
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n/an/a 9.92E+3n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079117
PNG
(CHEMBL3416644)
Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C22H23NO4/c1-25-18-8-9-19-20(15-18)27-21(22(19)24)14-16-4-6-17(7-5-16)26-13-12-23-10-2-3-11-23/h4-9,14-15H,2-3,10-13H2,1H3/b21-14-
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n/an/a 1.02E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079205
PNG
(CHEMBL3416667)
Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCN(C)C)c(Cl)c1
Show InChI InChI=1S/C20H20ClNO4/c1-22(2)8-9-25-17-7-4-13(10-16(17)21)11-19-20(23)15-6-5-14(24-3)12-18(15)26-19/h4-7,10-12H,8-9H2,1-3H3/b19-11-
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n/an/a 1.11E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079199
PNG
(CHEMBL3416673)
Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCN2CCCCC2)cc1Cl
Show InChI InChI=1S/C23H24ClNO4/c1-27-17-7-8-19-21(15-17)29-22(23(19)26)13-16-5-6-18(14-20(16)24)28-12-11-25-9-3-2-4-10-25/h5-8,13-15H,2-4,9-12H2,1H3/b22-13-
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n/an/a 1.14E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079190
PNG
(CHEMBL3416657)
Show SMILES COc1cc(\C=C2/Oc3cc(OCCN4CCCC4)ccc3C2=O)cc(OC)c1OC
Show InChI InChI=1S/C24H27NO6/c1-27-21-13-16(14-22(28-2)24(21)29-3)12-20-23(26)18-7-6-17(15-19(18)31-20)30-11-10-25-8-4-5-9-25/h6-7,12-15H,4-5,8-11H2,1-3H3/b20-12-
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n/an/a 1.17E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079206
PNG
(CHEMBL3416666)
Show SMILES CCN(CC)C(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OC)cc1
Show InChI InChI=1S/C21H21NO5/c1-4-22(5-2)21(24)26-16-10-11-17-18(13-16)27-19(20(17)23)12-14-6-8-15(25-3)9-7-14/h6-13H,4-5H2,1-3H3/b19-12-
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n/an/a 1.27E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079202
PNG
(CHEMBL3416670)
Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCCN(C)C)c(Cl)c1
Show InChI InChI=1S/C21H22ClNO4/c1-23(2)9-4-10-26-18-8-5-14(11-17(18)22)12-20-21(24)16-7-6-15(25-3)13-19(16)27-20/h5-8,11-13H,4,9-10H2,1-3H3/b20-12-
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n/an/a 2.16E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079201
PNG
(CHEMBL3416671)
Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCN(C)C)cc1Cl
Show InChI InChI=1S/C20H20ClNO4/c1-22(2)8-9-25-15-5-4-13(17(21)11-15)10-19-20(23)16-7-6-14(24-3)12-18(16)26-19/h4-7,10-12H,8-9H2,1-3H3/b19-10-
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n/an/a 2.39E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079195
PNG
(CHEMBL3416652)
Show SMILES COc1ccc(\C=C2/Oc3cc(OCCN(C)C)ccc3C2=O)cc1
Show InChI InChI=1S/C20H21NO4/c1-21(2)10-11-24-16-8-9-17-18(13-16)25-19(20(17)22)12-14-4-6-15(23-3)7-5-14/h4-9,12-13H,10-11H2,1-3H3/b19-12-
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n/an/a 2.53E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079118
PNG
(CHEMBL3416643)
Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C20H21NO4/c1-21(2)10-11-24-15-6-4-14(5-7-15)12-19-20(22)17-9-8-16(23-3)13-18(17)25-19/h4-9,12-13H,10-11H2,1-3H3/b19-12-
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n/an/a 2.59E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079112
PNG
(CHEMBL3416649)
Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCCN(C)C)cc1
Show InChI InChI=1S/C21H23NO4/c1-22(2)11-4-12-25-16-7-5-15(6-8-16)13-20-21(23)18-10-9-17(24-3)14-19(18)26-20/h5-10,13-14H,4,11-12H2,1-3H3/b20-13-
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n/an/a 3.04E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079192
PNG
(CHEMBL3416655)
Show SMILES COc1ccc(\C=C2/Oc3cc(OCCCN(C)C)ccc3C2=O)cc1
Show InChI InChI=1S/C21H23NO4/c1-22(2)11-4-12-25-17-9-10-18-19(14-17)26-20(21(18)23)13-15-5-7-16(24-3)8-6-15/h5-10,13-14H,4,11-12H2,1-3H3/b20-13-
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n/an/a 3.12E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079115
PNG
(CHEMBL3416646)
Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(cc1)N(C)C
Show InChI InChI=1S/C18H17NO3/c1-19(2)13-6-4-12(5-7-13)10-17-18(20)15-9-8-14(21-3)11-16(15)22-17/h4-11H,1-3H3/b17-10-
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n/an/a 3.18E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079198
PNG
(CHEMBL3416674)
Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCCN(C)C)cc1Cl
Show InChI InChI=1S/C21H22ClNO4/c1-23(2)9-4-10-26-16-6-5-14(18(22)12-16)11-20-21(24)17-8-7-15(25-3)13-19(17)27-20/h5-8,11-13H,4,9-10H2,1-3H3/b20-11-
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n/an/a 3.41E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079191
PNG
(CHEMBL3416656)
Show SMILES COc1cc(\C=C2/Oc3cc(OCCN(C)C)ccc3C2=O)cc(OC)c1OC
Show InChI InChI=1S/C22H25NO6/c1-23(2)8-9-28-15-6-7-16-17(13-15)29-18(21(16)24)10-14-11-19(25-3)22(27-5)20(12-14)26-4/h6-7,10-13H,8-9H2,1-5H3/b18-10-
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n/an/a 6.64E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079196
PNG
(CHEMBL3416651)
Show SMILES CCN(CC)C(=O)Oc1ccc(\C=C2/Oc3cc(OC)ccc3C2=O)cc1
Show InChI InChI=1S/C21H21NO5/c1-4-22(5-2)21(24)26-15-8-6-14(7-9-15)12-19-20(23)17-11-10-16(25-3)13-18(17)27-19/h6-13H,4-5H2,1-3H3/b19-12-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079209
PNG
(CHEMBL3416663)
Show SMILES CCN(CC)C(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(cc1)N(C)C
Show InChI InChI=1S/C22H24N2O4/c1-5-24(6-2)22(26)27-17-11-12-18-19(14-17)28-20(21(18)25)13-15-7-9-16(10-8-15)23(3)4/h7-14H,5-6H2,1-4H3/b20-13-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079208
PNG
(CHEMBL3416664)
Show SMILES CCN(CC)C(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(cc1)N(CC)CC
Show InChI InChI=1S/C24H28N2O4/c1-5-25(6-2)18-11-9-17(10-12-18)15-22-23(27)20-14-13-19(16-21(20)30-22)29-24(28)26(7-3)8-4/h9-16H,5-8H2,1-4H3/b22-15-
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Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079188
PNG
(CHEMBL3416659)
Show SMILES COc1cc(\C=C2/Oc3cc(OCCCN(C)C)ccc3C2=O)cc(OC)c1OC
Show InChI InChI=1S/C23H27NO6/c1-24(2)9-6-10-29-16-7-8-17-18(14-16)30-19(22(17)25)11-15-12-20(26-3)23(28-5)21(13-15)27-4/h7-8,11-14H,6,9-10H2,1-5H3/b19-11-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079197
PNG
(CHEMBL1807491)
Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)cc1
Show InChI InChI=1S/C16H12O4/c1-19-12-6-7-13-14(9-12)20-15(16(13)18)8-10-2-4-11(17)5-3-10/h2-9,17H,1H3/b15-8-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079111
PNG
(CHEMBL3416650)
Show SMILES COc1ccc(\C=C2/Oc3cc(OC)ccc3C2=O)cc1
Show InChI InChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)9-16-17(18)14-8-7-13(20-2)10-15(14)21-16/h3-10H,1-2H3/b16-9-
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Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079185
PNG
(CHEMBL3416637)
Show SMILES CN(C)CCOc1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1
Show InChI InChI=1S/C19H19NO4/c1-20(2)9-10-23-15-6-3-13(4-7-15)11-18-19(22)16-8-5-14(21)12-17(16)24-18/h3-8,11-12,21H,9-10H2,1-2H3/b18-11-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079184
PNG
(CHEMBL3416638)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C21H21NO4/c23-16-5-8-18-19(14-16)26-20(21(18)24)13-15-3-6-17(7-4-15)25-12-11-22-9-1-2-10-22/h3-8,13-14,23H,1-2,9-12H2/b20-13-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079136
PNG
(CHEMBL3416639)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C22H23NO4/c24-17-6-9-19-20(15-17)27-21(22(19)25)14-16-4-7-18(8-5-16)26-13-12-23-10-2-1-3-11-23/h4-9,14-15,24H,1-3,10-13H2/b21-14-
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Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50363409
PNG
(CHEMBL1946828)
Show SMILES CN(C)c1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1
Show InChI InChI=1S/C17H15NO3/c1-18(2)12-5-3-11(4-6-12)9-16-17(20)14-8-7-13(19)10-15(14)21-16/h3-10,19H,1-2H3/b16-9-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079122
PNG
(CHEMBL3416640)
Show SMILES CCN(CC)c1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1
Show InChI InChI=1S/C19H19NO3/c1-3-20(4-2)14-7-5-13(6-8-14)11-18-19(22)16-10-9-15(21)12-17(16)23-18/h5-12,21H,3-4H2,1-2H3/b18-11-
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Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079121
PNG
(CHEMBL3416641)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccncc1
Show InChI InChI=1S/C14H9NO3/c16-10-1-2-11-12(8-10)18-13(14(11)17)7-9-3-5-15-6-4-9/h1-8,16H/b13-7-
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Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079120
PNG
(CHEMBL3416642)
Show SMILES CN(C)CCCOc1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1
Show InChI InChI=1S/C20H21NO4/c1-21(2)10-3-11-24-16-7-4-14(5-8-16)12-19-20(23)17-9-6-15(22)13-18(17)25-19/h4-9,12-13,22H,3,10-11H2,1-2H3/b19-12-
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Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079119
PNG
(CHEMBL1171364)
Show SMILES COc1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1
Show InChI InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)8-15-16(18)13-7-4-11(17)9-14(13)20-15/h2-9,17H,1H3/b15-8-
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Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079114
PNG
(CHEMBL3416647)
Show SMILES CCN(CC)c1ccc(\C=C2/Oc3cc(OC)ccc3C2=O)cc1
Show InChI InChI=1S/C20H21NO3/c1-4-21(5-2)15-8-6-14(7-9-15)12-19-20(22)17-11-10-16(23-3)13-18(17)24-19/h6-13H,4-5H2,1-3H3/b19-12-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50079113
PNG
(CHEMBL3416648)
Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1ccncc1
Show InChI InChI=1S/C15H11NO3/c1-18-11-2-3-12-13(9-11)19-14(15(12)17)8-10-4-6-16-7-5-10/h2-9H,1H3/b14-8-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair