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PubMed code 21715067

Compile data set for download or QSAR
Found 15 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


(Electrophorus electricus (Electric eel))
BDBM50384793
PNG
(CHEMBL2037384)
Show SMILES CC(=O)Nc1nn(C)c2nc3nc4CCCCc4c(N)c3cc12
Show InChI InChI=1S/C16H18N6O/c1-8(23)18-15-11-7-10-13(17)9-5-3-4-6-12(9)19-14(10)20-16(11)22(2)21-15/h7H,3-6H2,1-2H3,(H2,17,19,20)(H,18,21,23)
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PubMed
155n/an/an/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Mixed type inhibition of electric eel AChE using acetylthiocholine as substrate by Lineweaver-Burk plot analysis


Eur J Med Chem 46: 4676-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.068
BindingDB Entry DOI: 10.7270/Q24T6KDT
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 5.20n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Equus caballus BChE preincubated for 10 mins measured after 15 mins by Ellman's method


Eur J Med Chem 46: 4676-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.068
BindingDB Entry DOI: 10.7270/Q24T6KDT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 27n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 10 mins measured after 15 mins by Ellman's method


Eur J Med Chem 46: 4676-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.068
BindingDB Entry DOI: 10.7270/Q24T6KDT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50384793
PNG
(CHEMBL2037384)
Show SMILES CC(=O)Nc1nn(C)c2nc3nc4CCCCc4c(N)c3cc12
Show InChI InChI=1S/C16H18N6O/c1-8(23)18-15-11-7-10-13(17)9-5-3-4-6-12(9)19-14(10)20-16(11)22(2)21-15/h7H,3-6H2,1-2H3,(H2,17,19,20)(H,18,21,23)
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n/an/a 69n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 10 mins measured after 15 mins by Ellman's method


Eur J Med Chem 46: 4676-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.068
BindingDB Entry DOI: 10.7270/Q24T6KDT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50384792
PNG
(CHEMBL2037385)
Show SMILES CC(=O)Nc1nn(C)c2nc3nc4CCCCc4c(N)c3c(-c3ccccc3)c12
Show InChI InChI=1S/C22H22N6O/c1-12(29)24-21-18-16(13-8-4-3-5-9-13)17-19(23)14-10-6-7-11-15(14)25-20(17)26-22(18)28(2)27-21/h3-5,8-9H,6-7,10-11H2,1-2H3,(H2,23,25,26)(H,24,27,29)
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n/an/a 230n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 10 mins measured after 15 mins by Ellman's method


Eur J Med Chem 46: 4676-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.068
BindingDB Entry DOI: 10.7270/Q24T6KDT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50384794
PNG
(CHEMBL2037380)
Show SMILES Cn1nc2nc3CCCCc3c(N)c2c1C#N
Show InChI InChI=1S/C12H13N5/c1-17-9(6-13)10-11(14)7-4-2-3-5-8(7)15-12(10)16-17/h2-5,14H2,1H3
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n/an/a 570n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 10 mins measured after 15 mins by Ellman's method


Eur J Med Chem 46: 4676-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.068
BindingDB Entry DOI: 10.7270/Q24T6KDT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50384796
PNG
(CHEMBL2037382)
Show SMILES Cn1nc2nc3CCCCc3c(N)c2c1C(N)=O
Show InChI InChI=1S/C12H15N5O/c1-17-10(11(14)18)8-9(13)6-4-2-3-5-7(6)15-12(8)16-17/h2-5,13H2,1H3,(H2,14,18)
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n/an/a 600n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 10 mins measured after 15 mins by Ellman's method


Eur J Med Chem 46: 4676-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.068
BindingDB Entry DOI: 10.7270/Q24T6KDT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50384795
PNG
(CHEMBL2037381)
Show SMILES Cn1nc(C#N)c2c(N)c3CCCCc3nc12
Show InChI InChI=1S/C12H13N5/c1-17-12-10(9(6-13)16-17)11(14)7-4-2-3-5-8(7)15-12/h2-5H2,1H3,(H2,14,15)
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 10 mins measured after 15 mins by Ellman's method


Eur J Med Chem 46: 4676-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.068
BindingDB Entry DOI: 10.7270/Q24T6KDT
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50384796
PNG
(CHEMBL2037382)
Show SMILES Cn1nc2nc3CCCCc3c(N)c2c1C(N)=O
Show InChI InChI=1S/C12H15N5O/c1-17-10(11(14)18)8-9(13)6-4-2-3-5-7(6)15-12(8)16-17/h2-5,13H2,1H3,(H2,14,18)
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n/an/a 5.40E+3n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Equus caballus BChE preincubated for 10 mins measured after 15 mins by Ellman's method


Eur J Med Chem 46: 4676-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.068
BindingDB Entry DOI: 10.7270/Q24T6KDT
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50384795
PNG
(CHEMBL2037381)
Show SMILES Cn1nc(C#N)c2c(N)c3CCCCc3nc12
Show InChI InChI=1S/C12H13N5/c1-17-12-10(9(6-13)16-17)11(14)7-4-2-3-5-8(7)15-12/h2-5H2,1H3,(H2,14,15)
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PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Equus caballus BChE preincubated for 10 mins measured after 15 mins by Ellman's method


Eur J Med Chem 46: 4676-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.068
BindingDB Entry DOI: 10.7270/Q24T6KDT
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50384793
PNG
(CHEMBL2037384)
Show SMILES CC(=O)Nc1nn(C)c2nc3nc4CCCCc4c(N)c3cc12
Show InChI InChI=1S/C16H18N6O/c1-8(23)18-15-11-7-10-13(17)9-5-3-4-6-12(9)19-14(10)20-16(11)22(2)21-15/h7H,3-6H2,1-2H3,(H2,17,19,20)(H,18,21,23)
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PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Equus caballus BChE preincubated for 10 mins measured after 15 mins by Ellman's method


Eur J Med Chem 46: 4676-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.068
BindingDB Entry DOI: 10.7270/Q24T6KDT
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50384792
PNG
(CHEMBL2037385)
Show SMILES CC(=O)Nc1nn(C)c2nc3nc4CCCCc4c(N)c3c(-c3ccccc3)c12
Show InChI InChI=1S/C22H22N6O/c1-12(29)24-21-18-16(13-8-4-3-5-9-13)17-19(23)14-10-6-7-11-15(14)25-20(17)26-22(18)28(2)27-21/h3-5,8-9H,6-7,10-11H2,1-2H3,(H2,23,25,26)(H,24,27,29)
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Equus caballus BChE preincubated for 10 mins measured after 15 mins by Ellman's method


Eur J Med Chem 46: 4676-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.068
BindingDB Entry DOI: 10.7270/Q24T6KDT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50384797
PNG
(CHEMBL2037383)
Show SMILES Cn1nc(C(N)=O)c2c(NCCCCCCOc3ccccc3)c3CCCCc3nc12
Show InChI InChI=1S/C24H31N5O2/c1-29-24-20(22(28-29)23(25)30)21(18-13-7-8-14-19(18)27-24)26-15-9-2-3-10-16-31-17-11-5-4-6-12-17/h4-6,11-12H,2-3,7-10,13-16H2,1H3,(H2,25,30)(H,26,27)
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n/an/a 9.30E+3n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 10 mins measured after 15 mins by Ellman's method


Eur J Med Chem 46: 4676-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.068
BindingDB Entry DOI: 10.7270/Q24T6KDT
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50384797
PNG
(CHEMBL2037383)
Show SMILES Cn1nc(C(N)=O)c2c(NCCCCCCOc3ccccc3)c3CCCCc3nc12
Show InChI InChI=1S/C24H31N5O2/c1-29-24-20(22(28-29)23(25)30)21(18-13-7-8-14-19(18)27-24)26-15-9-2-3-10-16-31-17-11-5-4-6-12-17/h4-6,11-12H,2-3,7-10,13-16H2,1H3,(H2,25,30)(H,26,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Equus caballus BChE preincubated for 10 mins measured after 15 mins by Ellman's method


Eur J Med Chem 46: 4676-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.068
BindingDB Entry DOI: 10.7270/Q24T6KDT
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50384794
PNG
(CHEMBL2037380)
Show SMILES Cn1nc2nc3CCCCc3c(N)c2c1C#N
Show InChI InChI=1S/C12H13N5/c1-17-9(6-13)10-11(14)7-4-2-3-5-8(7)15-12(10)16-17/h2-5,14H2,1H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Equus caballus BChE preincubated for 10 mins measured after 15 mins by Ellman's method


Eur J Med Chem 46: 4676-81 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.068
BindingDB Entry DOI: 10.7270/Q24T6KDT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%