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PubMed code 15895683

Compile data set for download or QSAR
Found 14 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
Arachidonate 12-lipoxygenase, 12R-type


(Homo sapiens (Human))
BDBM86010
PNG
(Chalcone, 10)
Show SMILES Oc1ccc(Cl)cc1C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C15H11ClO2/c16-12-7-9-15(18)13(10-12)14(17)8-6-11-4-2-1-3-5-11/h1-10,18H/b8-6+
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PubMed
5.76E+4 -24.2n/an/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro lipoxygenase inhibition assay, lipoxygenase inhibiting activity was convenintly measured by slightly modifying the spectrometic method devel...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Arachidonate 12-lipoxygenase, 12R-type


(Homo sapiens (Human))
BDBM86012
PNG
(Chalcone, 11)
Show SMILES Oc1ccc(Cl)cc1C(=O)\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C15H10Cl2O2/c16-11-4-1-10(2-5-11)3-7-14(18)13-9-12(17)6-8-15(13)19/h1-9,19H/b7-3+
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PubMed
7.17E+4 -23.7n/an/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro lipoxygenase inhibition assay, lipoxygenase inhibiting activity was convenintly measured by slightly modifying the spectrometic method devel...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM86002
PNG
((E)-1-phenyl-3-(2-hydroxyphenyl)-2-propen-1-one (8...)
Show SMILES Oc1ccccc1\C=C\C(=O)c1ccccc1
Show InChI InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)10-11-15(17)12-6-2-1-3-7-12/h1-11,16H/b11-10+
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n/an/a 1.60E+4n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM86006
PNG
(Chalcone, 5)
Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2)cc1OC
Show InChI InChI=1S/C17H16O3/c1-19-16-11-9-13(12-17(16)20-2)8-10-15(18)14-6-4-3-5-7-14/h3-12H,1-2H3/b10-8+
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PubMed
n/an/a 2.31E+4n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM86009
PNG
(Chalcone, 9)
Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2O)cc1OC
Show InChI InChI=1S/C17H16O4/c1-20-16-10-8-12(11-17(16)21-2)7-9-15(19)13-5-3-4-6-14(13)18/h3-11,18H,1-2H3/b9-7+
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PubMed
n/an/a 2.82E+4n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM86005
PNG
(Chalcone, 4)
Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C16H14O2/c1-18-15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h2-12H,1H3/b12-9+
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PubMed
n/an/a 3.90E+4n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM86010
PNG
(Chalcone, 10)
Show SMILES Oc1ccc(Cl)cc1C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C15H11ClO2/c16-12-7-9-15(18)13(10-12)14(17)8-6-11-4-2-1-3-5-11/h1-10,18H/b8-6+
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PubMed
n/an/a 3.92E+4n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM86004
PNG
(Chalcone 2 | Chalcone, 3)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C15H12O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,16H/b11-8+
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PubMed
n/an/a 4.00E+4n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM86003
PNG
(Chalcone, 2)
Show SMILES Oc1cccc(\C=C\C(=O)c2ccccc2)c1
Show InChI InChI=1S/C15H12O2/c16-14-8-4-5-12(11-14)9-10-15(17)13-6-2-1-3-7-13/h1-11,16H/b10-9+
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n/an/a 4.62E+4n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM86007
PNG
(Chalcone, 6)
Show SMILES Oc1ccccc1C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11,16H/b11-10+
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n/an/a 5.92E+4n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM86008
PNG
(Chalcone, 7)
Show SMILES COc1cccc(\C=C\C(=O)c2ccccc2O)c1
Show InChI InChI=1S/C16H14O3/c1-19-13-6-4-5-12(11-13)9-10-16(18)14-7-2-3-8-15(14)17/h2-11,17H,1H3/b10-9+
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n/an/a 6.60E+4n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM76395
PNG
((E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)-2-prop...)
Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2O)cc1
Show InChI InChI=1S/C16H14O3/c1-19-13-9-6-12(7-10-13)8-11-16(18)14-4-2-3-5-15(14)17/h2-11,17H,1H3/b11-8+
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n/an/a 9.29E+4n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM29143
PNG
(CHEMBL7976 | Chalcone 1 | Chalcone, 13 | cid_63776...)
Show SMILES O=C(\C=C\c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
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PubMed
n/an/a 1.09E+5n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM86011
PNG
(Chalcone, 12)
Show SMILES Cc1cccc(\C=C\C(=O)c2cc(Cl)ccc2O)c1
Show InChI InChI=1S/C16H13ClO2/c1-11-3-2-4-12(9-11)5-7-15(18)14-10-13(17)6-8-16(14)19/h2-10,19H,1H3/b7-5+
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n/an/a 1.35E+5n/an/an/an/a8.025



Quaid-i-Azam University



Assay Description
In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...


J Enzyme Inhib Med Chem 20: 41-7 (2005)


Article DOI: 10.1080/14756360400015231
BindingDB Entry DOI: 10.7270/Q2FX781C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%