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PubMed code 20575555

Compile data set for download or QSAR
Found 45 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
Cholinesterases


(Homo sapiens (Human))
BDBM50317074
PNG
(CHEMBL1087194 | ethyl 5-amino-2-methyl-6,7,8,9-tet...)
Show SMILES CCOC(=O)c1cc2c(N)c3CCCCc3nc2nc1C
Show InChI InChI=1S/C16H19N3O2/c1-3-21-16(20)11-8-12-14(17)10-6-4-5-7-13(10)19-15(12)18-9(11)2/h8H,3-7H2,1-2H3,(H2,17,18,19)
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24n/an/an/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown orign) by Lineweaver-Burke plot


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
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



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholinesterases


(Homo sapiens (Human))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1/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 8.20n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of AChE in human erythrocytes by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1/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 13.4n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
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



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
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



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Displacement of propidium iodide from AChE in bovine erythrocytes after 15 mins by fluorescence plate reader


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50317074
PNG
(CHEMBL1087194 | ethyl 5-amino-2-methyl-6,7,8,9-tet...)
Show SMILES CCOC(=O)c1cc2c(N)c3CCCCc3nc2nc1C
Show InChI InChI=1S/C16H19N3O2/c1-3-21-16(20)11-8-12-14(17)10-6-4-5-7-13(10)19-15(12)18-9(11)2/h8H,3-7H2,1-2H3,(H2,17,18,19)
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n/an/a 60n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50317074
PNG
(CHEMBL1087194 | ethyl 5-amino-2-methyl-6,7,8,9-tet...)
Show SMILES CCOC(=O)c1cc2c(N)c3CCCCc3nc2nc1C
Show InChI InChI=1S/C16H19N3O2/c1-3-21-16(20)11-8-12-14(17)10-6-4-5-7-13(10)19-15(12)18-9(11)2/h8H,3-7H2,1-2H3,(H2,17,18,19)
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n/an/a 60n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Displacement of propidium iodide from AChE in bovine erythrocytes after 15 mins by fluorescence plate reader


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50318705
PNG
(CHEMBL1086184 | Methyl 5-Amino-2-methyl-6,7,8,9-te...)
Show SMILES COC(=O)c1cc2c(N)c3CCCCc3nc2nc1C
Show InChI InChI=1S/C15H17N3O2/c1-8-10(15(19)20-2)7-11-13(16)9-5-3-4-6-12(9)18-14(11)17-8/h7H,3-6H2,1-2H3,(H2,16,17,18)
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n/an/a 93n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Displacement of propidium iodide from AChE in bovine erythrocytes after 15 mins by fluorescence plate reader


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50318705
PNG
(CHEMBL1086184 | Methyl 5-Amino-2-methyl-6,7,8,9-te...)
Show SMILES COC(=O)c1cc2c(N)c3CCCCc3nc2nc1C
Show InChI InChI=1S/C15H17N3O2/c1-8-10(15(19)20-2)7-11-13(16)9-5-3-4-6-12(9)18-14(11)17-8/h7H,3-6H2,1-2H3,(H2,16,17,18)
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n/an/a 93n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
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 100n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of AChE in human erythrocytes by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50318703
PNG
(CHEMBL1083972 | Methyl 5-Amino-2-methyl-7,8-dihydr...)
Show SMILES COC(=O)c1cc2c(N)c3CCCc3nc2nc1C
Show InChI InChI=1S/C14H15N3O2/c1-7-9(14(18)19-2)6-10-12(15)8-4-3-5-11(8)17-13(10)16-7/h6H,3-5H2,1-2H3,(H2,15,16,17)
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n/an/a 120n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50318703
PNG
(CHEMBL1083972 | Methyl 5-Amino-2-methyl-7,8-dihydr...)
Show SMILES COC(=O)c1cc2c(N)c3CCCc3nc2nc1C
Show InChI InChI=1S/C14H15N3O2/c1-7-9(14(18)19-2)6-10-12(15)8-4-3-5-11(8)17-13(10)16-7/h6H,3-5H2,1-2H3,(H2,15,16,17)
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n/an/a 120n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Displacement of propidium iodide from AChE in bovine erythrocytes after 15 mins by fluorescence plate reader


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50318708
PNG
(CHEMBL1084517 | Methyl 5-Amino-2-methyl-6,7,8,9,10...)
Show SMILES COC(=O)c1cc2c(N)c3CCCCCCc3nc2nc1C
Show InChI InChI=1S/C17H21N3O2/c1-10-12(17(21)22-2)9-13-15(18)11-7-5-3-4-6-8-14(11)20-16(13)19-10/h9H,3-8H2,1-2H3,(H2,18,19,20)
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n/an/a 250n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50318708
PNG
(CHEMBL1084517 | Methyl 5-Amino-2-methyl-6,7,8,9,10...)
Show SMILES COC(=O)c1cc2c(N)c3CCCCCCc3nc2nc1C
Show InChI InChI=1S/C17H21N3O2/c1-10-12(17(21)22-2)9-13-15(18)11-7-5-3-4-6-8-14(11)20-16(13)19-10/h9H,3-8H2,1-2H3,(H2,18,19,20)
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n/an/a 250n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Displacement of propidium iodide from AChE in bovine erythrocytes after 15 mins by fluorescence plate reader


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50318706
PNG
(CHEMBL1083973 | Ethyl 5-Amino-2-methyl-7,8,9,10-te...)
Show SMILES CCOC(=O)c1cc2c(N)c3CCCCCc3nc2nc1C
Show InChI InChI=1S/C17H21N3O2/c1-3-22-17(21)12-9-13-15(18)11-7-5-4-6-8-14(11)20-16(13)19-10(12)2/h9H,3-8H2,1-2H3,(H2,18,19,20)
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n/an/a 310n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50318706
PNG
(CHEMBL1083973 | Ethyl 5-Amino-2-methyl-7,8,9,10-te...)
Show SMILES CCOC(=O)c1cc2c(N)c3CCCCCc3nc2nc1C
Show InChI InChI=1S/C17H21N3O2/c1-3-22-17(21)12-9-13-15(18)11-7-5-4-6-8-14(11)20-16(13)19-10(12)2/h9H,3-8H2,1-2H3,(H2,18,19,20)
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n/an/a 310n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Displacement of propidium iodide from AChE in bovine erythrocytes after 15 mins by fluorescence plate reader


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50318702
PNG
(CHEMBL1084518 | Ethyl 5-Amino-2-methyl-7,8-dihydro...)
Show SMILES CCOC(=O)c1cc2c(N)c3CCCc3nc2nc1C
Show InChI InChI=1S/C15H17N3O2/c1-3-20-15(19)10-7-11-13(16)9-5-4-6-12(9)18-14(11)17-8(10)2/h7H,3-6H2,1-2H3,(H2,16,17,18)
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n/an/a 350n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50318702
PNG
(CHEMBL1084518 | Ethyl 5-Amino-2-methyl-7,8-dihydro...)
Show SMILES CCOC(=O)c1cc2c(N)c3CCCc3nc2nc1C
Show InChI InChI=1S/C15H17N3O2/c1-3-20-15(19)10-7-11-13(16)9-5-4-6-12(9)18-14(11)17-8(10)2/h7H,3-6H2,1-2H3,(H2,16,17,18)
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n/an/a 350n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Displacement of propidium iodide from AChE in bovine erythrocytes after 15 mins by fluorescence plate reader


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50318707
PNG
(CHEMBL1084250 | Methyl 5-Amino-2-methyl-7,8,9,10-t...)
Show SMILES COC(=O)c1cc2c(N)c3CCCCCc3nc2nc1C
Show InChI InChI=1S/C16H19N3O2/c1-9-11(16(20)21-2)8-12-14(17)10-6-4-3-5-7-13(10)19-15(12)18-9/h8H,3-7H2,1-2H3,(H2,17,18,19)
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n/an/a 360n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Displacement of propidium iodide from AChE in bovine erythrocytes after 15 mins by fluorescence plate reader


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50318707
PNG
(CHEMBL1084250 | Methyl 5-Amino-2-methyl-7,8,9,10-t...)
Show SMILES COC(=O)c1cc2c(N)c3CCCCCc3nc2nc1C
Show InChI InChI=1S/C16H19N3O2/c1-9-11(16(20)21-2)8-12-14(17)10-6-4-3-5-7-13(10)19-15(12)18-9/h8H,3-7H2,1-2H3,(H2,17,18,19)
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n/an/a 360n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50318704
PNG
(CHEMBL1084519 | Ethyl 5-Amino-2-methyl-6,7,8,9,10,...)
Show SMILES CCOC(=O)c1cc2c(N)c3CCCCCCc3nc2nc1C
Show InChI InChI=1S/C18H23N3O2/c1-3-23-18(22)13-10-14-16(19)12-8-6-4-5-7-9-15(12)21-17(14)20-11(13)2/h10H,3-9H2,1-2H3,(H2,19,20,21)
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n/an/a 400n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50318704
PNG
(CHEMBL1084519 | Ethyl 5-Amino-2-methyl-6,7,8,9,10,...)
Show SMILES CCOC(=O)c1cc2c(N)c3CCCCCCc3nc2nc1C
Show InChI InChI=1S/C18H23N3O2/c1-3-23-18(22)13-10-14-16(19)12-8-6-4-5-7-9-15(12)21-17(14)20-11(13)2/h10H,3-9H2,1-2H3,(H2,19,20,21)
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n/an/a 400n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Displacement of propidium iodide from AChE in bovine erythrocytes after 15 mins by fluorescence plate reader


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50318707
PNG
(CHEMBL1084250 | Methyl 5-Amino-2-methyl-7,8,9,10-t...)
Show SMILES COC(=O)c1cc2c(N)c3CCCCCc3nc2nc1C
Show InChI InChI=1S/C16H19N3O2/c1-9-11(16(20)21-2)8-12-14(17)10-6-4-3-5-7-13(10)19-15(12)18-9/h8H,3-7H2,1-2H3,(H2,17,18,19)
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n/an/a 490n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Show InChI InChI=1/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/s2
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n/an/a 560n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Show InChI InChI=1/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/s2
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n/an/a 600n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of AChE in human erythrocytes by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholinesterases


(Homo sapiens (Human))
BDBM50317074
PNG
(CHEMBL1087194 | ethyl 5-amino-2-methyl-6,7,8,9-tet...)
Show SMILES CCOC(=O)c1cc2c(N)c3CCCCc3nc2nc1C
Show InChI InChI=1S/C16H19N3O2/c1-3-21-16(20)11-8-12-14(17)10-6-4-5-7-13(10)19-15(12)18-9(11)2/h8H,3-7H2,1-2H3,(H2,17,18,19)
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n/an/a 780n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of AChE in human erythrocytes by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50241350
PNG
(5-Amino-2-methyl-4-phenyl-6,7,8,9-tetrahydro-benzo...)
Show SMILES CCOC(=O)c1c(C)nc2nc3CCCCc3c(N)c2c1-c1ccccc1
Show InChI InChI=1S/C22H23N3O2/c1-3-27-22(26)17-13(2)24-21-19(18(17)14-9-5-4-6-10-14)20(23)15-11-7-8-12-16(15)25-21/h4-6,9-10H,3,7-8,11-12H2,1-2H3,(H2,23,24,25)
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n/an/a 800n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(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=1/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 840n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50318705
PNG
(CHEMBL1086184 | Methyl 5-Amino-2-methyl-6,7,8,9-te...)
Show SMILES COC(=O)c1cc2c(N)c3CCCCc3nc2nc1C
Show InChI InChI=1S/C15H17N3O2/c1-8-10(15(19)20-2)7-11-13(16)9-5-3-4-6-12(9)18-14(11)17-8/h7H,3-6H2,1-2H3,(H2,16,17,18)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of AChE in human erythrocytes by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50318708
PNG
(CHEMBL1084517 | Methyl 5-Amino-2-methyl-6,7,8,9,10...)
Show SMILES COC(=O)c1cc2c(N)c3CCCCCCc3nc2nc1C
Show InChI InChI=1S/C17H21N3O2/c1-10-12(17(21)22-2)9-13-15(18)11-7-5-3-4-6-8-14(11)20-16(13)19-10/h9H,3-8H2,1-2H3,(H2,18,19,20)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of AChE in human erythrocytes by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50318704
PNG
(CHEMBL1084519 | Ethyl 5-Amino-2-methyl-6,7,8,9,10,...)
Show SMILES CCOC(=O)c1cc2c(N)c3CCCCCCc3nc2nc1C
Show InChI InChI=1S/C18H23N3O2/c1-3-23-18(22)13-10-14-16(19)12-8-6-4-5-7-9-15(12)21-17(14)20-11(13)2/h10H,3-9H2,1-2H3,(H2,19,20,21)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of AChE in human erythrocytes by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50318703
PNG
(CHEMBL1083972 | Methyl 5-Amino-2-methyl-7,8-dihydr...)
Show SMILES COC(=O)c1cc2c(N)c3CCCc3nc2nc1C
Show InChI InChI=1S/C14H15N3O2/c1-7-9(14(18)19-2)6-10-12(15)8-4-3-5-11(8)17-13(10)16-7/h6H,3-5H2,1-2H3,(H2,15,16,17)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of AChE in human erythrocytes by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50318707
PNG
(CHEMBL1084250 | Methyl 5-Amino-2-methyl-7,8,9,10-t...)
Show SMILES COC(=O)c1cc2c(N)c3CCCCCc3nc2nc1C
Show InChI InChI=1S/C16H19N3O2/c1-9-11(16(20)21-2)8-12-14(17)10-6-4-3-5-7-13(10)19-15(12)18-9/h8H,3-7H2,1-2H3,(H2,17,18,19)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of AChE in human erythrocytes by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50318706
PNG
(CHEMBL1083973 | Ethyl 5-Amino-2-methyl-7,8,9,10-te...)
Show SMILES CCOC(=O)c1cc2c(N)c3CCCCCc3nc2nc1C
Show InChI InChI=1S/C17H21N3O2/c1-3-22-17(21)12-9-13-15(18)11-7-5-4-6-8-14(11)20-16(13)19-10(12)2/h9H,3-8H2,1-2H3,(H2,18,19,20)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of AChE in human erythrocytes by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50318702
PNG
(CHEMBL1084518 | Ethyl 5-Amino-2-methyl-7,8-dihydro...)
Show SMILES CCOC(=O)c1cc2c(N)c3CCCc3nc2nc1C
Show InChI InChI=1S/C15H17N3O2/c1-3-20-15(19)10-7-11-13(16)9-5-4-6-12(9)18-14(11)17-8(10)2/h7H,3-6H2,1-2H3,(H2,16,17,18)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of AChE in human erythrocytes by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50318706
PNG
(CHEMBL1083973 | Ethyl 5-Amino-2-methyl-7,8,9,10-te...)
Show SMILES CCOC(=O)c1cc2c(N)c3CCCCCc3nc2nc1C
Show InChI InChI=1S/C17H21N3O2/c1-3-22-17(21)12-9-13-15(18)11-7-5-4-6-8-14(11)20-16(13)19-10(12)2/h9H,3-8H2,1-2H3,(H2,18,19,20)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50318705
PNG
(CHEMBL1086184 | Methyl 5-Amino-2-methyl-6,7,8,9-te...)
Show SMILES COC(=O)c1cc2c(N)c3CCCCc3nc2nc1C
Show InChI InChI=1S/C15H17N3O2/c1-8-10(15(19)20-2)7-11-13(16)9-5-3-4-6-12(9)18-14(11)17-8/h7H,3-6H2,1-2H3,(H2,16,17,18)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50318708
PNG
(CHEMBL1084517 | Methyl 5-Amino-2-methyl-6,7,8,9,10...)
Show SMILES COC(=O)c1cc2c(N)c3CCCCCCc3nc2nc1C
Show InChI InChI=1S/C17H21N3O2/c1-10-12(17(21)22-2)9-13-15(18)11-7-5-3-4-6-8-14(11)20-16(13)19-10/h9H,3-8H2,1-2H3,(H2,18,19,20)
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n/an/a 4.07E+3n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50318703
PNG
(CHEMBL1083972 | Methyl 5-Amino-2-methyl-7,8-dihydr...)
Show SMILES COC(=O)c1cc2c(N)c3CCCc3nc2nc1C
Show InChI InChI=1S/C14H15N3O2/c1-7-9(14(18)19-2)6-10-12(15)8-4-3-5-11(8)17-13(10)16-7/h6H,3-5H2,1-2H3,(H2,15,16,17)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50241350
PNG
(5-Amino-2-methyl-4-phenyl-6,7,8,9-tetrahydro-benzo...)
Show SMILES CCOC(=O)c1c(C)nc2nc3CCCCc3c(N)c2c1-c1ccccc1
Show InChI InChI=1S/C22H23N3O2/c1-3-27-22(26)17-13(2)24-21-19(18(17)14-9-5-4-6-10-14)20(23)15-11-7-8-12-16(15)25-21/h4-6,9-10H,3,7-8,11-12H2,1-2H3,(H2,23,24,25)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50318704
PNG
(CHEMBL1084519 | Ethyl 5-Amino-2-methyl-6,7,8,9,10,...)
Show SMILES CCOC(=O)c1cc2c(N)c3CCCCCCc3nc2nc1C
Show InChI InChI=1S/C18H23N3O2/c1-3-23-18(22)13-10-14-16(19)12-8-6-4-5-7-9-15(12)21-17(14)20-11(13)2/h10H,3-9H2,1-2H3,(H2,19,20,21)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50317074
PNG
(CHEMBL1087194 | ethyl 5-amino-2-methyl-6,7,8,9-tet...)
Show SMILES CCOC(=O)c1cc2c(N)c3CCCCc3nc2nc1C
Show InChI InChI=1S/C16H19N3O2/c1-3-21-16(20)11-8-12-14(17)10-6-4-5-7-13(10)19-15(12)18-9(11)2/h8H,3-7H2,1-2H3,(H2,17,18,19)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Show InChI InChI=1/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/s2
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n/an/a 1.20E+4n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50318702
PNG
(CHEMBL1084518 | Ethyl 5-Amino-2-methyl-7,8-dihydro...)
Show SMILES CCOC(=O)c1cc2c(N)c3CCCc3nc2nc1C
Show InChI InChI=1S/C15H17N3O2/c1-3-20-15(19)10-7-11-13(16)9-5-4-6-12(9)18-14(11)17-8(10)2/h7H,3-6H2,1-2H3,(H2,16,17,18)
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n/an/a 3.90E+4n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%