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Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with all data for entry = 50035789   
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))
BDBM50020515
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(naphthalen-1-y...)
Show SMILES Cn1cc[n+](COCc2cccc3ccccc23)c1CN=O
Show InChI InChI=1S/C17H18N3O2/c1-19-9-10-20(17(19)11-18-21)13-22-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-10H,11-13H2,1H3/q+1
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3.50E+3n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Compound was tested for the competitive inhibition of phosphorylation of Eel acetylcholinesterase (AChE)


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50020529
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(3-phenyl-propo...)
Show SMILES Cn1cc[n+](COCCCc2ccccc2)c1CN=O
Show InChI InChI=1S/C15H20N3O2/c1-17-9-10-18(15(17)12-16-19)13-20-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10H,5,8,11-13H2,1H3/q+1
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4.00E+3n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Compound was tested for the competitive inhibition of phosphonylation of Eel acetylcholinesterase (AChE)


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50020521
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(1,2,2-trimethy...)
Show SMILES CC(OC[n+]1ccn(C)c1CN=O)C(C)(C)C
Show InChI InChI=1S/C12H22N3O2/c1-10(12(2,3)4)17-9-15-7-6-14(5)11(15)8-13-16/h6-7,10H,8-9H2,1-5H3/q+1
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7.60E+3n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Compound was tested for the competitive inhibition of phosphonylation of Eel acetylcholinesterase (AChE)


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50020514
PNG
(2-(Hydroxyimino-methyl)-1-methoxymethyl-3-methyl-3...)
Show SMILES COC[n+]1ccn(C)c1CN=O
Show InChI InChI=1S/C7H12N3O2/c1-9-3-4-10(6-12-2)7(9)5-8-11/h3-4H,5-6H2,1-2H3/q+1
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4.80E+4n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Compound was tested for the competitive inhibition of phosphorylation of Eel acetylcholinesterase (AChE)


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50011780
PNG
(2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...)
Show SMILES C[n+]1ccccc1CN=O
Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1
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1.27E+5n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Compound was tested for the competitive inhibition of phosphorylation of Eel acetylcholinesterase (AChE)


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50020522
PNG
(1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...)
Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1
Show InChI InChI=1S/C14H15N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-8H,9-11H2,(H-,15,19)/q+1/p+1
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2.29E+5n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Compound was tested for the competitive inhibition of phosphonylation of Eel acetylcholinesterase (AChE)


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50020516
PNG
(2-(3-{2-[2-hydroxy-(E)-1-methenylimino]-1-methyl-1...)
Show SMILES Cn1cc[n+](COC[n+]2ccn(C)c2CN=O)c1CN=O
Show InChI InChI=1S/C12H18N6O3/c1-15-3-5-17(11(15)7-13-19)9-21-10-18-6-4-16(2)12(18)8-14-20/h3-6H,7-10H2,1-2H3/q+2
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n/an/a 3.00E+3n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of eel acetylcholinesterase (AChE) activity by 50%


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50020515
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(naphthalen-1-y...)
Show SMILES Cn1cc[n+](COCc2cccc3ccccc23)c1CN=O
Show InChI InChI=1S/C17H18N3O2/c1-19-9-10-20(17(19)11-18-21)13-22-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-10H,11-13H2,1H3/q+1
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n/an/a 3.80E+3n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC).


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50020515
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(naphthalen-1-y...)
Show SMILES Cn1cc[n+](COCc2cccc3ccccc23)c1CN=O
Show InChI InChI=1S/C17H18N3O2/c1-19-9-10-20(17(19)11-18-21)13-22-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-10H,11-13H2,1H3/q+1
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n/an/a 4.20E+3n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) in bovine erythrocyte(RBC)


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50020515
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(naphthalen-1-y...)
Show SMILES Cn1cc[n+](COCc2cccc3ccccc23)c1CN=O
Show InChI InChI=1S/C17H18N3O2/c1-19-9-10-20(17(19)11-18-21)13-22-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-10H,11-13H2,1H3/q+1
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n/an/a 7.00E+3n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of eel acetylcholinesterase (AChE) activity by 50%


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Choline O-acetyltransferase


(RAT)
BDBM50020515
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(naphthalen-1-y...)
Show SMILES Cn1cc[n+](COCc2cccc3ccccc23)c1CN=O
Show InChI InChI=1S/C17H18N3O2/c1-19-9-10-20(17(19)11-18-21)13-22-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-10H,11-13H2,1H3/q+1
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n/an/a 7.00E+3n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Compound was tested for the competitive inhibition of acetylcholinesterase (AChE)


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50020517
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-octyloxymethyl-...)
Show SMILES CCCCCCCCOC[n+]1ccn(C)c1CN=O
Show InChI InChI=1S/C14H26N3O2/c1-3-4-5-6-7-8-11-19-13-17-10-9-16(2)14(17)12-15-18/h9-10H,3-8,11-13H2,1-2H3/q+1
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n/an/a 7.00E+3n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of eel acetylcholinesterase (AChE) activity by 50%


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50020516
PNG
(2-(3-{2-[2-hydroxy-(E)-1-methenylimino]-1-methyl-1...)
Show SMILES Cn1cc[n+](COC[n+]2ccn(C)c2CN=O)c1CN=O
Show InChI InChI=1S/C12H18N6O3/c1-15-3-5-17(11(15)7-13-19)9-21-10-18-6-4-16(2)12(18)8-14-20/h3-6H,7-10H2,1-2H3/q+2
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n/an/a 7.80E+3n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC).


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50020519
PNG
(1-(2,2-Dimethyl-propoxymethyl)-2-(hydroxyimino-met...)
Show SMILES Cn1cc[n+](COCC(C)(C)C)c1CN=O
Show InChI InChI=1S/C11H20N3O2/c1-11(2,3)8-16-9-14-6-5-13(4)10(14)7-12-15/h5-6H,7-9H2,1-4H3/q+1
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n/an/a 8.40E+3n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC).


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50020519
PNG
(1-(2,2-Dimethyl-propoxymethyl)-2-(hydroxyimino-met...)
Show SMILES Cn1cc[n+](COCC(C)(C)C)c1CN=O
Show InChI InChI=1S/C11H20N3O2/c1-11(2,3)8-16-9-14-6-5-13(4)10(14)7-12-15/h5-6H,7-9H2,1-4H3/q+1
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n/an/a 9.40E+3n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) in bovine erythrocyte(RBC)


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50020517
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-octyloxymethyl-...)
Show SMILES CCCCCCCCOC[n+]1ccn(C)c1CN=O
Show InChI InChI=1S/C14H26N3O2/c1-3-4-5-6-7-8-11-19-13-17-10-9-16(2)14(17)12-15-18/h9-10H,3-8,11-13H2,1-2H3/q+1
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n/an/a 9.50E+3n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC).


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50020517
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-octyloxymethyl-...)
Show SMILES CCCCCCCCOC[n+]1ccn(C)c1CN=O
Show InChI InChI=1S/C14H26N3O2/c1-3-4-5-6-7-8-11-19-13-17-10-9-16(2)14(17)12-15-18/h9-10H,3-8,11-13H2,1-2H3/q+1
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n/an/a 1.10E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) in bovine erythrocyte(RBC)


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50020521
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(1,2,2-trimethy...)
Show SMILES CC(OC[n+]1ccn(C)c1CN=O)C(C)(C)C
Show InChI InChI=1S/C12H22N3O2/c1-10(12(2,3)4)17-9-15-7-6-14(5)11(15)8-13-16/h6-7,10H,8-9H2,1-5H3/q+1
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n/an/a 1.15E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC).


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50367852
PNG
(CHEMBL538352)
Show SMILES Cn1cc[n+](COC[n+]2ccccc2CN=O)c1CN=O
Show InChI InChI=1S/C13H17N5O3/c1-16-6-7-18(13(16)9-15-20)11-21-10-17-5-3-2-4-12(17)8-14-19/h2-7H,8-11H2,1H3/q+2
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n/an/a 1.20E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of eel acetylcholinesterase (AChE) activity by 50%


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50020519
PNG
(1-(2,2-Dimethyl-propoxymethyl)-2-(hydroxyimino-met...)
Show SMILES Cn1cc[n+](COCC(C)(C)C)c1CN=O
Show InChI InChI=1S/C11H20N3O2/c1-11(2,3)8-16-9-14-6-5-13(4)10(14)7-12-15/h5-6H,7-9H2,1-4H3/q+1
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n/an/a 1.20E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of eel acetylcholinesterase (AChE) activity by 50%


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50020529
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(3-phenyl-propo...)
Show SMILES Cn1cc[n+](COCCCc2ccccc2)c1CN=O
Show InChI InChI=1S/C15H20N3O2/c1-17-9-10-18(15(17)12-16-19)13-20-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10H,5,8,11-13H2,1H3/q+1
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n/an/a 1.50E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of eel acetylcholinesterase (AChE) activity by 50%


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Choline O-acetyltransferase


(RAT)
BDBM50020529
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(3-phenyl-propo...)
Show SMILES Cn1cc[n+](COCCCc2ccccc2)c1CN=O
Show InChI InChI=1S/C15H20N3O2/c1-17-9-10-18(15(17)12-16-19)13-20-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10H,5,8,11-13H2,1H3/q+1
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n/an/a 1.50E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Compound was tested for the competitive inhibition of acetylcholinesterase (AChE)


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Choline O-acetyltransferase


(RAT)
BDBM50020521
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(1,2,2-trimethy...)
Show SMILES CC(OC[n+]1ccn(C)c1CN=O)C(C)(C)C
Show InChI InChI=1S/C12H22N3O2/c1-10(12(2,3)4)17-9-15-7-6-14(5)11(15)8-13-16/h6-7,10H,8-9H2,1-5H3/q+1
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n/an/a 1.60E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Compound was tested for the competitive inhibition of acetylcholinesterase (AChE)


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50020521
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(1,2,2-trimethy...)
Show SMILES CC(OC[n+]1ccn(C)c1CN=O)C(C)(C)C
Show InChI InChI=1S/C12H22N3O2/c1-10(12(2,3)4)17-9-15-7-6-14(5)11(15)8-13-16/h6-7,10H,8-9H2,1-5H3/q+1
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n/an/a 1.60E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Compound was tested for the competitive inhibition of phosphonylation of Eel acetylcholinesterase (AChE)


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50020521
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(1,2,2-trimethy...)
Show SMILES CC(OC[n+]1ccn(C)c1CN=O)C(C)(C)C
Show InChI InChI=1S/C12H22N3O2/c1-10(12(2,3)4)17-9-15-7-6-14(5)11(15)8-13-16/h6-7,10H,8-9H2,1-5H3/q+1
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n/an/a 1.90E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) in bovine erythrocyte(RBC)


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50020518
PNG
(1-Butoxymethyl-2-(hydroxyimino-methyl)-3-methyl-3H...)
Show SMILES CCCCOC[n+]1ccn(C)c1CN=O
Show InChI InChI=1S/C10H18N3O2/c1-3-4-7-15-9-13-6-5-12(2)10(13)8-11-14/h5-6H,3-4,7-9H2,1-2H3/q+1
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n/an/a 2.00E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of eel acetylcholinesterase (AChE) activity by 50%


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50020529
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(3-phenyl-propo...)
Show SMILES Cn1cc[n+](COCCCc2ccccc2)c1CN=O
Show InChI InChI=1S/C15H20N3O2/c1-17-9-10-18(15(17)12-16-19)13-20-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10H,5,8,11-13H2,1H3/q+1
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n/an/a 2.12E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC).


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Mus musculus-MOUSE)
BDBM50020529
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(3-phenyl-propo...)
Show SMILES Cn1cc[n+](COCCCc2ccccc2)c1CN=O
Show InChI InChI=1S/C15H20N3O2/c1-17-9-10-18(15(17)12-16-19)13-20-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10H,5,8,11-13H2,1H3/q+1
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n/an/a 2.20E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity towards muscarinic receptor in mouse brain membrane


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50020534
PNG
(1-(1-Ethyl-2,2-dimethyl-propoxymethyl)-2-(hydroxyi...)
Show SMILES CCC(OC[n+]1ccn(C)c1CN=O)C(C)(C)C
Show InChI InChI=1S/C13H24N3O2/c1-6-11(13(2,3)4)18-10-16-8-7-15(5)12(16)9-14-17/h7-8,11H,6,9-10H2,1-5H3/q+1
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n/an/a 2.40E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC).


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50020535
PNG
(1-Hexyloxymethyl-2-(hydroxyimino-methyl)-3-methyl-...)
Show SMILES CCCCCCOC[n+]1ccn(C)c1CN=O
Show InChI InChI=1S/C12H22N3O2/c1-3-4-5-6-9-17-11-15-8-7-14(2)12(15)10-13-16/h7-8H,3-6,9-11H2,1-2H3/q+1
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n/an/a 2.50E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC).


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50020533
PNG
(1-(1-Cyclohexyl-ethoxymethyl)-2-(hydroxyimino-meth...)
Show SMILES CC(OC[n+]1ccn(C)c1CN=O)C1CCCCC1
Show InChI InChI=1S/C14H24N3O2/c1-12(13-6-4-3-5-7-13)19-11-17-9-8-16(2)14(17)10-15-18/h8-9,12-13H,3-7,10-11H2,1-2H3/q+1
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n/an/a 2.60E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC).


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50020518
PNG
(1-Butoxymethyl-2-(hydroxyimino-methyl)-3-methyl-3H...)
Show SMILES CCCCOC[n+]1ccn(C)c1CN=O
Show InChI InChI=1S/C10H18N3O2/c1-3-4-7-15-9-13-6-5-12(2)10(13)8-11-14/h5-6H,3-4,7-9H2,1-2H3/q+1
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n/an/a 2.75E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC).


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50020529
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(3-phenyl-propo...)
Show SMILES Cn1cc[n+](COCCCc2ccccc2)c1CN=O
Show InChI InChI=1S/C15H20N3O2/c1-17-9-10-18(15(17)12-16-19)13-20-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10H,5,8,11-13H2,1H3/q+1
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n/an/a 3.00E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) in bovine erythrocyte(RBC)


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50020530
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(1,3,3-trimethy...)
Show SMILES CC(CC(C)(C)C)OC[n+]1ccn(C)c1CN=O
Show InChI InChI=1S/C13H24N3O2/c1-11(8-13(2,3)4)18-10-16-7-6-15(5)12(16)9-14-17/h6-7,11H,8-10H2,1-5H3/q+1
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n/an/a 3.25E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC).


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50020531
PNG
(2,3-Dimethyl-1-(1,2,2-trimethyl-propoxymethyl)-3H-...)
Show SMILES CC(OC[n+]1ccn(C)c1C)C(C)(C)C
Show InChI InChI=1S/C12H23N2O/c1-10(12(3,4)5)15-9-14-8-7-13(6)11(14)2/h7-8,10H,9H2,1-6H3/q+1
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n/an/a 3.30E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC).


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Mus musculus-MOUSE)
BDBM50020515
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(naphthalen-1-y...)
Show SMILES Cn1cc[n+](COCc2cccc3ccccc23)c1CN=O
Show InChI InChI=1S/C17H18N3O2/c1-19-9-10-20(17(19)11-18-21)13-22-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-10H,11-13H2,1H3/q+1
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n/an/a 3.50E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity towards muscarinic receptor in mouse brain membrane


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50367852
PNG
(CHEMBL538352)
Show SMILES Cn1cc[n+](COC[n+]2ccccc2CN=O)c1CN=O
Show InChI InChI=1S/C13H17N5O3/c1-16-6-7-18(13(16)9-15-20)11-21-10-17-5-3-2-4-12(17)8-14-19/h2-7H,8-11H2,1H3/q+2
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n/an/a 3.80E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC).


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50020528
PNG
(1-Cyclohexylmethoxymethyl-2-(hydroxyimino-methyl)-...)
Show SMILES Cn1cc[n+](COCC2CCCCC2)c1CN=O
Show InChI InChI=1S/C13H22N3O2/c1-15-7-8-16(13(15)9-14-17)11-18-10-12-5-3-2-4-6-12/h7-8,12H,2-6,9-11H2,1H3/q+1
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n/an/a 4.20E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC).


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50020518
PNG
(1-Butoxymethyl-2-(hydroxyimino-methyl)-3-methyl-3H...)
Show SMILES CCCCOC[n+]1ccn(C)c1CN=O
Show InChI InChI=1S/C10H18N3O2/c1-3-4-7-15-9-13-6-5-12(2)10(13)8-11-14/h5-6H,3-4,7-9H2,1-2H3/q+1
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n/an/a 4.20E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) in bovine erythrocyte(RBC)


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50020527
PNG
(2-(Hydroxyimino-methyl)-1,3-dimethyl-3H-benzoimida...)
Show SMILES Cn1c(CN=O)[n+](C)c2ccccc12
Show InChI InChI=1S/C10H12N3O/c1-12-8-5-3-4-6-9(8)13(2)10(12)7-11-14/h3-6H,7H2,1-2H3/q+1
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n/an/a 4.50E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of eel acetylcholinesterase (AChE) activity by 50%


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50020520
PNG
(2-(Hydroxyimino-methyl)-1-isopropoxymethyl-3-methy...)
Show SMILES CC(C)OC[n+]1ccn(C)c1CN=O
Show InChI InChI=1S/C9H16N3O2/c1-8(2)14-7-12-5-4-11(3)9(12)6-10-13/h4-5,8H,6-7H2,1-3H3/q+1
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n/an/a 4.80E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) in bovine erythrocyte(RBC)


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50020520
PNG
(2-(Hydroxyimino-methyl)-1-isopropoxymethyl-3-methy...)
Show SMILES CC(C)OC[n+]1ccn(C)c1CN=O
Show InChI InChI=1S/C9H16N3O2/c1-8(2)14-7-12-5-4-11(3)9(12)6-10-13/h4-5,8H,6-7H2,1-3H3/q+1
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n/an/a 4.90E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC).


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50020523
PNG
(1-Benzyloxymethyl-2-(hydroxyimino-methyl)-3-methyl...)
Show SMILES Cn1cc[n+](COCc2ccccc2)c1CN=O
Show InChI InChI=1S/C13H16N3O2/c1-15-7-8-16(13(15)9-14-17)11-18-10-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3/q+1
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n/an/a 5.00E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of eel acetylcholinesterase (AChE) activity by 50%


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50020525
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(1,2,3,4-tetrah...)
Show SMILES Cn1cc[n+](COCC2CCCc3ccccc23)c1CN=O
Show InChI InChI=1S/C17H22N3O2/c1-19-9-10-20(17(19)11-18-21)13-22-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-3,5,8-10,15H,4,6-7,11-13H2,1H3/q+1
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n/an/a 5.60E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC).


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50020523
PNG
(1-Benzyloxymethyl-2-(hydroxyimino-methyl)-3-methyl...)
Show SMILES Cn1cc[n+](COCc2ccccc2)c1CN=O
Show InChI InChI=1S/C13H16N3O2/c1-15-7-8-16(13(15)9-14-17)11-18-10-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3/q+1
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n/an/a 5.60E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC).


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50020523
PNG
(1-Benzyloxymethyl-2-(hydroxyimino-methyl)-3-methyl...)
Show SMILES Cn1cc[n+](COCc2ccccc2)c1CN=O
Show InChI InChI=1S/C13H16N3O2/c1-15-7-8-16(13(15)9-14-17)11-18-10-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3/q+1
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n/an/a 6.20E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) in bovine erythrocyte(RBC)


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50020520
PNG
(2-(Hydroxyimino-methyl)-1-isopropoxymethyl-3-methy...)
Show SMILES CC(C)OC[n+]1ccn(C)c1CN=O
Show InChI InChI=1S/C9H16N3O2/c1-8(2)14-7-12-5-4-11(3)9(12)6-10-13/h4-5,8H,6-7H2,1-3H3/q+1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8.00E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of eel acetylcholinesterase (AChE) activity by 50%


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Mus musculus-MOUSE)
BDBM50020521
PNG
(2-(Hydroxyimino-methyl)-3-methyl-1-(1,2,2-trimethy...)
Show SMILES CC(OC[n+]1ccn(C)c1CN=O)C(C)(C)C
Show InChI InChI=1S/C12H22N3O2/c1-10(12(2,3)4)17-9-15-7-6-14(5)11(15)8-13-16/h6-7,10H,8-9H2,1-5H3/q+1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8.00E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity towards muscarinic acetylcholine receptor in mouse brain membrane


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50020522
PNG
(1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...)
Show SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1
Show InChI InChI=1S/C14H15N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-8H,9-11H2,(H-,15,19)/q+1/p+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.90E+4n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC).


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50367853
PNG
(CHEMBL539108)
Show SMILES O=NCc1cccc[n+]1COCCOC[n+]1ccccc1CN=O
Show InChI InChI=1S/C16H20N4O4/c21-17-11-15-5-1-3-7-19(15)13-23-9-10-24-14-20-8-4-2-6-16(20)12-18-22/h1-8H,9-14H2/q+2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of eel acetylcholinesterase (AChE) activity by 50%


J Med Chem 32: 493-503 (1989)


BindingDB Entry DOI: 10.7270/Q2JD4XCB
More data for this
Ligand-Target Pair
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