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PubMed code 18821258

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM91581
PNG
(Thiaindanone, 3)
Show SMILES Fc1ccccc1CN1CCN(CC(=O)NC2CC(N=O)c3c(Br)sc(Br)c23)CC1
Show InChI InChI=1S/C20H21Br2FN4O2S/c21-19-17-14(9-15(25-29)18(17)20(22)30-19)24-16(28)11-27-7-5-26(6-8-27)10-12-3-1-2-4-13(12)23/h1-4,14-15H,5-11H2,(H,24,28)
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Article
PubMed
n/an/a 60n/an/an/an/a7.4n/a



Centre d'Etudes et de Recherche sur le Médicament de Normandie



Assay Description
Inhibitory ability of compounds on AChE activity was evaluated through the use of the spectrometic method of Ellman. Lyophilized electric eel AChE (...


J Enzyme Inhib Med Chem 23: 696-703 (2008)


Article DOI: 10.1080/14756360802208053
BindingDB Entry DOI: 10.7270/Q2SX6BT7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM91580
PNG
(Thiaindanone, 2)
Show SMILES Fc1ccccc1CN1CCN(CC(=O)NC2CC(=O)c3c(Br)sc(Br)c23)CC1
Show InChI InChI=1S/C20H20Br2FN3O2S/c21-19-17-14(9-15(27)18(17)20(22)29-19)24-16(28)11-26-7-5-25(6-8-26)10-12-3-1-2-4-13(12)23/h1-4,14H,5-11H2,(H,24,28)
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PubMed
n/an/a 400n/an/an/an/a7.4n/a



Centre d'Etudes et de Recherche sur le Médicament de Normandie



Assay Description
Inhibitory ability of compounds on AChE activity was evaluated through the use of the spectrometic method of Ellman. Lyophilized electric eel AChE (...


J Enzyme Inhib Med Chem 23: 696-703 (2008)


Article DOI: 10.1080/14756360802208053
BindingDB Entry DOI: 10.7270/Q2SX6BT7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM91582
PNG
(Thiaindanone, 11)
Show SMILES OC1CC(NC(=O)CN2CCN(Cc3ccccc3F)CC2)c2c(Br)sc(Br)c12
Show InChI InChI=1S/C20H22Br2FN3O2S/c21-19-17-14(9-15(27)18(17)20(22)29-19)24-16(28)11-26-7-5-25(6-8-26)10-12-3-1-2-4-13(12)23/h1-4,14-15,27H,5-11H2,(H,24,28)
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UniChem
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PubMed
n/an/a 400n/an/an/an/a7.4n/a



Centre d'Etudes et de Recherche sur le Médicament de Normandie



Assay Description
Inhibitory ability of compounds on AChE activity was evaluated through the use of the spectrometic method of Ellman. Lyophilized electric eel AChE (...


J Enzyme Inhib Med Chem 23: 696-703 (2008)


Article DOI: 10.1080/14756360802208053
BindingDB Entry DOI: 10.7270/Q2SX6BT7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM91587
PNG
(Thiaindanone, 1)
Show SMILES Brc1sc(Br)c2C(=O)CC(NC(=O)CN3CCN(Cc4ccccc4)CC3)c12
Show InChI InChI=1S/C20H21Br2N3O2S/c21-19-17-14(10-15(26)18(17)20(22)28-19)23-16(27)12-25-8-6-24(7-9-25)11-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,23,27)
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PubMed
n/an/a 560n/an/an/an/a7.4n/a



Centre d'Etudes et de Recherche sur le Médicament de Normandie



Assay Description
Inhibitory ability of compounds on AChE activity was evaluated through the use of the spectrometic method of Ellman. Lyophilized electric eel AChE (...


J Enzyme Inhib Med Chem 23: 696-703 (2008)


Article DOI: 10.1080/14756360802208053
BindingDB Entry DOI: 10.7270/Q2SX6BT7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM91584
PNG
(Thiaindanone, 13)
Show SMILES Fc1ccccc1CN1CCN(CC(=O)NC2CC(Cl)c3c(Br)sc(Br)c23)CC1
Show InChI InChI=1S/C20H21Br2ClFN3OS/c21-19-17-13(23)9-15(18(17)20(22)29-19)25-16(28)11-27-7-5-26(6-8-27)10-12-3-1-2-4-14(12)24/h1-4,13,15H,5-11H2,(H,25,28)
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n/an/a 630n/an/an/an/a7.4n/a



Centre d'Etudes et de Recherche sur le Médicament de Normandie



Assay Description
Inhibitory ability of compounds on AChE activity was evaluated through the use of the spectrometic method of Ellman. Lyophilized electric eel AChE (...


J Enzyme Inhib Med Chem 23: 696-703 (2008)


Article DOI: 10.1080/14756360802208053
BindingDB Entry DOI: 10.7270/Q2SX6BT7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM91585
PNG
(Thiaindanone, 14)
Show SMILES NN=C1CC(NC(=O)CN2CCN(Cc3ccccc3F)CC2)c2c(Br)sc(Br)c12 |w:1.0|
Show InChI InChI=1S/C20H22Br2FN5OS/c21-19-17-14(9-15(26-24)18(17)20(22)30-19)25-16(29)11-28-7-5-27(6-8-28)10-12-3-1-2-4-13(12)23/h1-4,14H,5-11,24H2,(H,25,29)
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PubMed
n/an/a 1.50E+3n/an/an/an/a7.4n/a



Centre d'Etudes et de Recherche sur le Médicament de Normandie



Assay Description
Inhibitory ability of compounds on AChE activity was evaluated through the use of the spectrometic method of Ellman. Lyophilized electric eel AChE (...


J Enzyme Inhib Med Chem 23: 696-703 (2008)


Article DOI: 10.1080/14756360802208053
BindingDB Entry DOI: 10.7270/Q2SX6BT7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM91583
PNG
(Thiaindanone, 12)
Show SMILES FC1CC(NC(=O)CN2CCN(Cc3ccccc3F)CC2)c2c(Br)sc(Br)c12
Show InChI InChI=1S/C20H21Br2F2N3OS/c21-19-17-14(24)9-15(18(17)20(22)29-19)25-16(28)11-27-7-5-26(6-8-27)10-12-3-1-2-4-13(12)23/h1-4,14-15H,5-11H2,(H,25,28)
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PubMed
n/an/a 2.30E+3n/an/an/an/a7.4n/a



Centre d'Etudes et de Recherche sur le Médicament de Normandie



Assay Description
Inhibitory ability of compounds on AChE activity was evaluated through the use of the spectrometic method of Ellman. Lyophilized electric eel AChE (...


J Enzyme Inhib Med Chem 23: 696-703 (2008)


Article DOI: 10.1080/14756360802208053
BindingDB Entry DOI: 10.7270/Q2SX6BT7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM91589
PNG
(Thiaindanone, 17)
Show SMILES Brc1sc(Br)c2C(=O)CC(NC(=O)CCc3c[nH]c4ccccc34)c12
Show InChI InChI=1S/C18H14Br2N2O2S/c19-17-15-12(7-13(23)16(15)18(20)25-17)22-14(24)6-5-9-8-21-11-4-2-1-3-10(9)11/h1-4,8,12,21H,5-7H2,(H,22,24)
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n/an/a>5.00E+3n/an/an/an/a7.4n/a



Centre d'Etudes et de Recherche sur le Médicament de Normandie



Assay Description
Inhibitory ability of compounds on AChE activity was evaluated through the use of the spectrometic method of Ellman. Lyophilized electric eel AChE (...


J Enzyme Inhib Med Chem 23: 696-703 (2008)


Article DOI: 10.1080/14756360802208053
BindingDB Entry DOI: 10.7270/Q2SX6BT7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM91590
PNG
(Thiaindanone, 19)
Show SMILES Brc1sc(Br)c2C(=O)CC(NC(=O)CCCN3CCc4ccccc4C3)c12
Show InChI InChI=1S/C20H20Br2N2O2S/c21-19-17-14(10-15(25)18(17)20(22)27-19)23-16(26)6-3-8-24-9-7-12-4-1-2-5-13(12)11-24/h1-2,4-5,14H,3,6-11H2,(H,23,26)
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PubMed
n/an/a>5.00E+3n/an/an/an/a7.4n/a



Centre d'Etudes et de Recherche sur le Médicament de Normandie



Assay Description
Inhibitory ability of compounds on AChE activity was evaluated through the use of the spectrometic method of Ellman. Lyophilized electric eel AChE (...


J Enzyme Inhib Med Chem 23: 696-703 (2008)


Article DOI: 10.1080/14756360802208053
BindingDB Entry DOI: 10.7270/Q2SX6BT7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM91586
PNG
(Thiaindanone, 15)
Show SMILES Fc1ccccc1CN1CCN(CC(=O)NC2C\C(=C/C#C)c3c(Br)sc(Br)c23)CC1
Show InChI InChI=1S/C23H22Br2FN3OS/c1-2-5-15-12-18(21-20(15)22(24)31-23(21)25)27-19(30)14-29-10-8-28(9-11-29)13-16-6-3-4-7-17(16)26/h1,3-7,18H,8-14H2,(H,27,30)/b15-5+
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n/an/a>5.00E+3n/an/an/an/a7.4n/a



Centre d'Etudes et de Recherche sur le Médicament de Normandie



Assay Description
Inhibitory ability of compounds on AChE activity was evaluated through the use of the spectrometic method of Ellman. Lyophilized electric eel AChE (...


J Enzyme Inhib Med Chem 23: 696-703 (2008)


Article DOI: 10.1080/14756360802208053
BindingDB Entry DOI: 10.7270/Q2SX6BT7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM91588
PNG
(Thiaindanone, 16)
Show SMILES Brc1sc(Br)c2C(=O)CC(NC(=O)CCCCCCc3ccccc3)c12
Show InChI InChI=1S/C20H21Br2NO2S/c21-19-17-14(12-15(24)18(17)20(22)26-19)23-16(25)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,14H,1-2,4,7-8,11-12H2,(H,23,25)
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PubMed
n/an/a>5.00E+3n/an/an/an/a7.4n/a



Centre d'Etudes et de Recherche sur le Médicament de Normandie



Assay Description
Inhibitory ability of compounds on AChE activity was evaluated through the use of the spectrometic method of Ellman. Lyophilized electric eel AChE (...


J Enzyme Inhib Med Chem 23: 696-703 (2008)


Article DOI: 10.1080/14756360802208053
BindingDB Entry DOI: 10.7270/Q2SX6BT7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%