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Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50039574   
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))
BDBM50380205
PNG
(NYMPHAEOL A)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])c(-[#8])c1 |r|
Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-9-17-19(27)12-23-24(25(17)30)21(29)13-22(31-23)16-8-10-18(26)20(28)11-16/h5,7-8,10-12,22,26-28,30H,4,6,9,13H2,1-3H3/b15-7+/t22-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of equine BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot analysis


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50380201
PNG
(CHEMBL2011403)
Show SMILES [#6]-[#8]-c1c(-[#8])cc(cc1-[#8])-[#6]-1-[#8]-c2cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2-[#6](=O)-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C26H30O8/c1-13(2)6-5-7-14(3)8-9-16-17(27)12-20-21(22(16)30)23(31)24(32)25(34-20)15-10-18(28)26(33-4)19(29)11-15/h6,8,10-12,24-25,27-30,32H,5,7,9H2,1-4H3/b14-8+/t24-,25?/m0/s1
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4.50E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of equine BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot analysis


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50380204
PNG
(CHEMBL2011405 | US10406136, Compound 6)
Show SMILES [#6]-[#8]-c1c(-[#8])cc(cc1-[#8])-[#6]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1
Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-9-17-18(27)12-23-24(25(17)31)19(28)13-22(33-23)16-10-20(29)26(32-4)21(30)11-16/h6,8,10-12,22,27,29-31H,5,7,9,13H2,1-4H3/b15-8+
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7.60E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of equine BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot analysis


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50380205
PNG
(NYMPHAEOL A)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])c(-[#8])c1 |r|
Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-9-17-19(27)12-23-24(25(17)30)21(29)13-22(31-23)16-8-10-18(26)20(28)11-16/h5,7-8,10-12,22,26-28,30H,4,6,9,13H2,1-3H3/b15-7+/t22-/m0/s1
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8.40E+3n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot ...


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50380201
PNG
(CHEMBL2011403)
Show SMILES [#6]-[#8]-c1c(-[#8])cc(cc1-[#8])-[#6]-1-[#8]-c2cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2-[#6](=O)-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C26H30O8/c1-13(2)6-5-7-14(3)8-9-16-17(27)12-20-21(22(16)30)23(31)24(32)25(34-20)15-10-18(28)26(33-4)19(29)11-15/h6,8,10-12,24-25,27-30,32H,5,7,9H2,1-4H3/b14-8+/t24-,25?/m0/s1
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1.69E+4n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot ...


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50380200
PNG
(CHEMBL459258)
Show SMILES [#6]-[#8]-c1cc(ccc1-[#8])-[#6@H]-1-[#8]-c2cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2-[#6](=O)-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-10-17-19(28)13-21-22(23(17)29)24(30)25(31)26(33-21)16-9-11-18(27)20(12-16)32-4/h6,8-9,11-13,25-29,31H,5,7,10H2,1-4H3/b15-8+/t25-,26+/m0/s1
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1.82E+4n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of equine BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot analysis


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50380199
PNG
(CHEMBL2011402)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#8])-[#6@H]-1-[#8]-c2cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2-[#6](=O)-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-10-17-18(27)13-21-22(23(17)29)24(30)25(31)26(33-21)16-9-11-20(32-4)19(28)12-16/h6,8-9,11-13,25-29,31H,5,7,10H2,1-4H3/b15-8+/t25-,26+/m0/s1
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1.87E+4n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of equine BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot analysis


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50380198
PNG
(BONANNIONE A)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])cc1 |r|
Show InChI InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13,22,26-27,29H,4,6,12,14H2,1-3H3/b16-7+/t22-/m0/s1
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2.22E+4n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of equine BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot analysis


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50380202
PNG
(CHEMBL2011404)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C26H30O6/c1-15(2)6-5-7-16(3)8-10-18-19(27)13-24-25(26(18)30)21(29)14-23(32-24)17-9-11-22(31-4)20(28)12-17/h6,8-9,11-13,23,27-28,30H,5,7,10,14H2,1-4H3/b16-8+/t23-/m0/s1
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2.35E+4n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of equine BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot analysis


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50380203
PNG
(CHEMBL253152)
Show SMILES [#6]-[#8]-c1cc(ccc1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C26H30O6/c1-15(2)6-5-7-16(3)8-10-18-20(28)13-24-25(26(18)30)21(29)14-22(32-24)17-9-11-19(27)23(12-17)31-4/h6,8-9,11-13,22,27-28,30H,5,7,10,14H2,1-4H3/b16-8+/t22-/m0/s1
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2.36E+4n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of equine BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot analysis


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50380204
PNG
(CHEMBL2011405 | US10406136, Compound 6)
Show SMILES [#6]-[#8]-c1c(-[#8])cc(cc1-[#8])-[#6]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1
Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-9-17-18(27)12-23-24(25(17)31)19(28)13-22(33-23)16-10-20(29)26(32-4)21(30)11-16/h6,8,10-12,22,27,29-31H,5,7,9,13H2,1-4H3/b15-8+
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3.01E+4n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot ...


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50380199
PNG
(CHEMBL2011402)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#8])-[#6@H]-1-[#8]-c2cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2-[#6](=O)-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-10-17-18(27)13-21-22(23(17)29)24(30)25(31)26(33-21)16-9-11-20(32-4)19(28)12-16/h6,8-9,11-13,25-29,31H,5,7,10H2,1-4H3/b15-8+/t25-,26+/m0/s1
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3.43E+4n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot ...


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50380200
PNG
(CHEMBL459258)
Show SMILES [#6]-[#8]-c1cc(ccc1-[#8])-[#6@H]-1-[#8]-c2cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2-[#6](=O)-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-10-17-19(28)13-21-22(23(17)29)24(30)25(31)26(33-21)16-9-11-18(27)20(12-16)32-4/h6,8-9,11-13,25-29,31H,5,7,10H2,1-4H3/b15-8+/t25-,26+/m0/s1
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6.82E+4n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot ...


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50380197
PNG
(CHEMBL2011406 | US10406136, Compound 9)
Show SMILES [#6]-[#8]-c1cc(cc(-[#8]-[#6])c1-[#8])-[#6]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1
Show InChI InChI=1S/C27H32O7/c1-15(2)7-6-8-16(3)9-10-18-19(28)13-22-25(26(18)30)20(29)14-21(34-22)17-11-23(32-4)27(31)24(12-17)33-5/h7,9,11-13,21,28,30-31H,6,8,10,14H2,1-5H3/b16-9+
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7.52E+4n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of equine BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot analysis


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50380202
PNG
(CHEMBL2011404)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C26H30O6/c1-15(2)6-5-7-16(3)8-10-18-19(27)13-24-25(26(18)30)21(29)14-23(32-24)17-9-11-22(31-4)20(28)12-17/h6,8-9,11-13,23,27-28,30H,5,7,10,14H2,1-4H3/b16-8+/t23-/m0/s1
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9.45E+4n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot ...


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50380198
PNG
(BONANNIONE A)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])cc1 |r|
Show InChI InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13,22,26-27,29H,4,6,12,14H2,1-3H3/b16-7+/t22-/m0/s1
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1.21E+5n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot ...


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50380203
PNG
(CHEMBL253152)
Show SMILES [#6]-[#8]-c1cc(ccc1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C26H30O6/c1-15(2)6-5-7-16(3)8-10-18-20(28)13-24-25(26(18)30)21(29)14-22(32-24)17-9-11-19(27)23(12-17)31-4/h6,8-9,11-13,22,27-28,30H,5,7,10,14H2,1-4H3/b16-8+/t22-/m0/s1
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1.50E+5n/an/an/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot ...


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r|
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE assessed as acetylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50380205
PNG
(NYMPHAEOL A)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])c(-[#8])c1 |r|
Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-9-17-19(27)12-23-24(25(17)30)21(29)13-22(31-23)16-8-10-18(26)20(28)11-16/h5,7-8,10-12,22,26-28,30H,4,6,9,13H2,1-3H3/b15-7+/t22-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE assessed as butyrylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r|
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE assessed as butyrylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50380201
PNG
(CHEMBL2011403)
Show SMILES [#6]-[#8]-c1c(-[#8])cc(cc1-[#8])-[#6]-1-[#8]-c2cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2-[#6](=O)-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C26H30O8/c1-13(2)6-5-7-14(3)8-9-16-17(27)12-20-21(22(16)30)23(31)24(32)25(34-20)15-10-18(28)26(33-4)19(29)11-15/h6,8,10-12,24-25,27-30,32H,5,7,9H2,1-4H3/b14-8+/t24-,25?/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE assessed as butyrylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50380204
PNG
(CHEMBL2011405 | US10406136, Compound 6)
Show SMILES [#6]-[#8]-c1c(-[#8])cc(cc1-[#8])-[#6]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1
Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-9-17-18(27)12-23-24(25(17)31)19(28)13-22(33-23)16-10-20(29)26(32-4)21(30)11-16/h6,8,10-12,22,27,29-31H,5,7,9,13H2,1-4H3/b15-8+
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n/an/a 6.40E+3n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE assessed as butyrylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50380205
PNG
(NYMPHAEOL A)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])c(-[#8])c1 |r|
Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-9-17-19(27)12-23-24(25(17)30)21(29)13-22(31-23)16-8-10-18(26)20(28)11-16/h5,7-8,10-12,22,26-28,30H,4,6,9,13H2,1-3H3/b15-7+/t22-/m0/s1
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n/an/a 7.20E+3n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE assessed as acetylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50380200
PNG
(CHEMBL459258)
Show SMILES [#6]-[#8]-c1cc(ccc1-[#8])-[#6@H]-1-[#8]-c2cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2-[#6](=O)-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-10-17-19(28)13-21-22(23(17)29)24(30)25(31)26(33-21)16-9-11-18(27)20(12-16)32-4/h6,8-9,11-13,25-29,31H,5,7,10H2,1-4H3/b15-8+/t25-,26+/m0/s1
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n/an/a 1.12E+4n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE assessed as butyrylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50380199
PNG
(CHEMBL2011402)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#8])-[#6@H]-1-[#8]-c2cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2-[#6](=O)-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-10-17-18(27)13-21-22(23(17)29)24(30)25(31)26(33-21)16-9-11-20(32-4)19(28)12-16/h6,8-9,11-13,25-29,31H,5,7,10H2,1-4H3/b15-8+/t25-,26+/m0/s1
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n/an/a 1.27E+4n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE assessed as butyrylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50380201
PNG
(CHEMBL2011403)
Show SMILES [#6]-[#8]-c1c(-[#8])cc(cc1-[#8])-[#6]-1-[#8]-c2cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2-[#6](=O)-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C26H30O8/c1-13(2)6-5-7-14(3)8-9-16-17(27)12-20-21(22(16)30)23(31)24(32)25(34-20)15-10-18(28)26(33-4)19(29)11-15/h6,8,10-12,24-25,27-30,32H,5,7,9H2,1-4H3/b14-8+/t24-,25?/m0/s1
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n/an/a 1.56E+4n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE assessed as acetylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50380198
PNG
(BONANNIONE A)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])cc1 |r|
Show InChI InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13,22,26-27,29H,4,6,12,14H2,1-3H3/b16-7+/t22-/m0/s1
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n/an/a 2.06E+4n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE assessed as butyrylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50380204
PNG
(CHEMBL2011405 | US10406136, Compound 6)
Show SMILES [#6]-[#8]-c1c(-[#8])cc(cc1-[#8])-[#6]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1
Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-9-17-18(27)12-23-24(25(17)31)19(28)13-22(33-23)16-10-20(29)26(32-4)21(30)11-16/h6,8,10-12,22,27,29-31H,5,7,9,13H2,1-4H3/b15-8+
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n/an/a 2.29E+4n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE assessed as acetylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50380203
PNG
(CHEMBL253152)
Show SMILES [#6]-[#8]-c1cc(ccc1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C26H30O6/c1-15(2)6-5-7-16(3)8-10-18-20(28)13-24-25(26(18)30)21(29)14-22(32-24)17-9-11-19(27)23(12-17)31-4/h6,8-9,11-13,22,27-28,30H,5,7,10,14H2,1-4H3/b16-8+/t22-/m0/s1
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n/an/a 2.45E+4n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE assessed as butyrylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50380202
PNG
(CHEMBL2011404)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C26H30O6/c1-15(2)6-5-7-16(3)8-10-18-19(27)13-24-25(26(18)30)21(29)14-23(32-24)17-9-11-22(31-4)20(28)12-17/h6,8-9,11-13,23,27-28,30H,5,7,10,14H2,1-4H3/b16-8+/t23-/m0/s1
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n/an/a 2.56E+4n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE assessed as butyrylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50380199
PNG
(CHEMBL2011402)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#8])-[#6@H]-1-[#8]-c2cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2-[#6](=O)-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-10-17-18(27)13-21-22(23(17)29)24(30)25(31)26(33-21)16-9-11-20(32-4)19(28)12-16/h6,8-9,11-13,25-29,31H,5,7,10H2,1-4H3/b15-8+/t25-,26+/m0/s1
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n/an/a 3.19E+4n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE assessed as acetylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50380200
PNG
(CHEMBL459258)
Show SMILES [#6]-[#8]-c1cc(ccc1-[#8])-[#6@H]-1-[#8]-c2cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2-[#6](=O)-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-10-17-19(28)13-21-22(23(17)29)24(30)25(31)26(33-21)16-9-11-18(27)20(12-16)32-4/h6,8-9,11-13,25-29,31H,5,7,10H2,1-4H3/b15-8+/t25-,26+/m0/s1
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n/an/a 4.85E+4n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE assessed as acetylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50380197
PNG
(CHEMBL2011406 | US10406136, Compound 9)
Show SMILES [#6]-[#8]-c1cc(cc(-[#8]-[#6])c1-[#8])-[#6]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1
Show InChI InChI=1S/C27H32O7/c1-15(2)7-6-8-16(3)9-10-18-19(28)13-22-25(26(18)30)20(29)14-21(34-22)17-11-23(32-4)27(31)24(12-17)33-5/h7,9,11-13,21,28,30-31H,6,8,10,14H2,1-5H3/b16-9+
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n/an/a 8.00E+4n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE assessed as butyrylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50380198
PNG
(BONANNIONE A)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])cc1 |r|
Show InChI InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13,22,26-27,29H,4,6,12,14H2,1-3H3/b16-7+/t22-/m0/s1
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n/an/a 9.15E+4n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE assessed as acetylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50380202
PNG
(CHEMBL2011404)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C26H30O6/c1-15(2)6-5-7-16(3)8-10-18-19(27)13-24-25(26(18)30)21(29)14-23(32-24)17-9-11-22(31-4)20(28)12-17/h6,8-9,11-13,23,27-28,30H,5,7,10,14H2,1-4H3/b16-8+/t23-/m0/s1
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n/an/a 9.24E+4n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE assessed as acetylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50380203
PNG
(CHEMBL253152)
Show SMILES [#6]-[#8]-c1cc(ccc1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C26H30O6/c1-15(2)6-5-7-16(3)8-10-18-20(28)13-24-25(26(18)30)21(29)14-22(32-24)17-9-11-19(27)23(12-17)31-4/h6,8-9,11-13,22,27-28,30H,5,7,10,14H2,1-4H3/b16-8+/t22-/m0/s1
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n/an/a 1.09E+5n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE assessed as acetylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50380197
PNG
(CHEMBL2011406 | US10406136, Compound 9)
Show SMILES [#6]-[#8]-c1cc(cc(-[#8]-[#6])c1-[#8])-[#6]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1
Show InChI InChI=1S/C27H32O7/c1-15(2)7-6-8-16(3)9-10-18-19(28)13-22-25(26(18)30)20(29)14-21(34-22)17-11-23(32-4)27(31)24(12-17)33-5/h7,9,11-13,21,28,30-31H,6,8,10,14H2,1-5H3/b16-9+
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n/an/a 3.16E+5n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE assessed as acetylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50325671
PNG
((2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIH...)
Show SMILES Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
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n/an/a 1.12E+6n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE assessed as butyrylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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n/an/a 1.49E+6n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE assessed as butyrylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50325671
PNG
((2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIH...)
Show SMILES Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
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n/an/a 1.66E+6n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE assessed as acetylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM23418
PNG
((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...)
Show SMILES COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|
Show InChI InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
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n/an/a 1.77E+6n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of equine BChE assessed as butyrylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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n/an/a 2.05E+6n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE assessed as acetylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM23418
PNG
((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...)
Show SMILES COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|
Show InChI InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
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n/an/a 2.48E+6n/an/an/an/an/an/a



Graduate School of Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE assessed as acetylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometry


Bioorg Med Chem 20: 2595-602 (2012)


Article DOI: 10.1016/j.bmc.2012.02.044
BindingDB Entry DOI: 10.7270/Q22808MC
More data for this
Ligand-Target Pair