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PubMed code 3336013

Compile data set for download or QSAR
Found 52 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


(Rattus norvegicus (rat))
BDBM50405551
PNG
(CHEMBL279876)
Show SMILES CC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C19H18N/c1-2-20-14-12-16(13-15-20)10-11-18-8-5-7-17-6-3-4-9-19(17)18/h3-15H,2H2,1H3/q+1/b11-10+
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n/an/a 151n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50280246
PNG
(4-((E)-2-Naphthalen-1-yl-vinyl)-1-propyl-pyridiniu...)
Show SMILES CCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H20N/c1-2-14-21-15-12-17(13-16-21)10-11-19-8-5-7-18-6-3-4-9-20(18)19/h3-13,15-16H,2,14H2,1H3/q+1/b11-10+
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n/an/a 190n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50280247
PNG
(1-Carbamoylmethyl-4-((E)-2-naphthalen-1-yl-vinyl)-...)
Show SMILES NC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C19H16N2O/c20-19(22)14-21-12-10-15(11-13-21)8-9-17-6-3-5-16-4-1-2-7-18(16)17/h1-13H,14H2,(H-,20,22)/p+1/b9-8+
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n/an/a 270n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405557
PNG
(CHEMBL19325)
Show SMILES Cc1c[n+](CC(N)=O)ccc1\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C20H18N2O/c1-15-13-22(14-20(21)23)12-11-16(15)9-10-18-7-4-6-17-5-2-3-8-19(17)18/h2-13H,14H2,1H3,(H-,21,23)/p+1/b10-9+
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n/an/a 340n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405569
PNG
(CHEMBL18903)
Show SMILES CCCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C21H22N/c1-2-3-15-22-16-13-18(14-17-22)11-12-20-9-6-8-19-7-4-5-10-21(19)20/h4-14,16-17H,2-3,15H2,1H3/q+1/b12-11+
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n/an/a 370n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50280248
PNG
(1-Methyl-4-((E)-2-naphthalen-1-yl-vinyl)-pyridiniu...)
Show SMILES C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C18H16N/c1-19-13-11-15(12-14-19)9-10-17-7-4-6-16-5-2-3-8-18(16)17/h2-14H,1H3/q+1/b10-9+
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n/an/a 390n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405551
PNG
(CHEMBL279876)
Show SMILES CC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C19H18N/c1-2-20-14-12-16(13-15-20)10-11-18-8-5-7-17-6-3-4-9-19(17)18/h3-15H,2H2,1H3/q+1/b11-10+
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n/an/a 860n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405552
PNG
(CHEMBL19487)
Show SMILES CCOC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C21H20NO2/c1-2-24-21(23)16-22-14-12-17(13-15-22)10-11-19-8-5-7-18-6-3-4-9-20(18)19/h3-15H,2,16H2,1H3/q+1/b11-10+
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405553
PNG
(CHEMBL283112)
Show SMILES CCOC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)c(C)c1
Show InChI InChI=1S/C22H22NO2/c1-3-25-22(24)16-23-14-13-18(17(2)15-23)11-12-20-9-6-8-19-7-4-5-10-21(19)20/h4-15H,3,16H2,1-2H3/q+1/b12-11+
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405568
PNG
(CHEMBL278742)
Show SMILES OCCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H20NO/c22-16-4-13-21-14-11-17(12-15-21)9-10-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-12,14-15,22H,4,13,16H2/q+1/b10-9+
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405547
PNG
(CHEMBL18432)
Show SMILES Cc1c[n+](CCO)ccc1\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C20H20NO/c1-16-15-21(13-14-22)12-11-17(16)9-10-19-7-4-6-18-5-2-3-8-20(18)19/h2-12,15,22H,13-14H2,1H3/q+1/b10-9+
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405573
PNG
(CHEMBL19486)
Show SMILES OCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C19H18NO/c21-15-14-20-12-10-16(11-13-20)8-9-18-6-3-5-17-4-1-2-7-19(17)18/h1-13,21H,14-15H2/q+1/b9-8+
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405567
PNG
(CHEMBL274006)
Show SMILES OCC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H18NO2/c22-15-19(23)14-21-12-10-16(11-13-21)8-9-18-6-3-5-17-4-1-2-7-20(17)18/h1-13,22H,14-15H2/q+1/b9-8+
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405548
PNG
(CHEMBL279153)
Show SMILES NC(=O)NC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H17N3O2/c21-20(25)22-19(24)14-23-12-10-15(11-13-23)8-9-17-6-3-5-16-4-1-2-7-18(16)17/h1-13H,14H2,(H2-,21,22,24,25)/p+1/b9-8+
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405574
PNG
(CHEMBL428683)
Show SMILES CC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H18NO/c1-16(22)15-21-13-11-17(12-14-21)9-10-19-7-4-6-18-5-2-3-8-20(18)19/h2-14H,15H2,1H3/q+1/b10-9+
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50405569
PNG
(CHEMBL18903)
Show SMILES CCCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C21H22N/c1-2-3-15-22-16-13-18(14-17-22)11-12-20-9-6-8-19-7-4-5-10-21(19)20/h4-14,16-17H,2-3,15H2,1H3/q+1/b12-11+
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n/an/a 3.90E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405561
PNG
(CHEMBL18920)
Show SMILES CCNC(=O)NC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C22H21N3O2/c1-2-23-22(27)24-21(26)16-25-14-12-17(13-15-25)10-11-19-8-5-7-18-6-3-4-9-20(18)19/h3-15H,2,16H2,1H3,(H-,23,24,26,27)/p+1/b11-10+
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n/an/a 3.90E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405558
PNG
(CHEMBL19318)
Show SMILES NCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C19H19N2/c20-12-15-21-13-10-16(11-14-21)8-9-18-6-3-5-17-4-1-2-7-19(17)18/h1-11,13-14H,12,15,20H2/q+1/b9-8+
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n/an/a 3.90E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405559
PNG
(CHEMBL19470)
Show SMILES Cc1c[n+](CCN)ccc1\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C20H21N2/c1-16-15-22(14-12-21)13-11-17(16)9-10-19-7-4-6-18-5-2-3-8-20(18)19/h2-11,13,15H,12,14,21H2,1H3/q+1/b10-9+
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405556
PNG
(CHEMBL18766)
Show SMILES NCCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H21N2/c21-13-4-14-22-15-11-17(12-16-22)9-10-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-12,15-16H,4,13-14,21H2/q+1/b10-9+
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n/an/a 5.30E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405555
PNG
(CHEMBL282917)
Show SMILES BrCC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H17BrNO/c21-14-19(23)15-22-12-10-16(11-13-22)8-9-18-6-3-5-17-4-1-2-7-20(17)18/h1-13H,14-15H2/q+1/b9-8+
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50405553
PNG
(CHEMBL283112)
Show SMILES CCOC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)c(C)c1
Show InChI InChI=1S/C22H22NO2/c1-3-25-22(24)16-23-14-13-18(17(2)15-23)11-12-20-9-6-8-19-7-4-5-10-21(19)20/h4-15H,3,16H2,1-2H3/q+1/b12-11+
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50280246
PNG
(4-((E)-2-Naphthalen-1-yl-vinyl)-1-propyl-pyridiniu...)
Show SMILES CCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H20N/c1-2-14-21-15-12-17(13-16-21)10-11-19-8-5-7-18-6-3-4-9-20(18)19/h3-13,15-16H,2,14H2,1H3/q+1/b11-10+
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n/an/a 1.75E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405549
PNG
(CHEMBL278309)
Show SMILES CCOC(=O)C(C(=O)OCC)[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C24H24NO4/c1-3-28-23(26)22(24(27)29-4-2)25-16-14-18(15-17-25)12-13-20-10-7-9-19-8-5-6-11-21(19)20/h5-17,22H,3-4H2,1-2H3/q+1/b13-12+
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50405547
PNG
(CHEMBL18432)
Show SMILES Cc1c[n+](CCO)ccc1\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C20H20NO/c1-16-15-21(13-14-22)12-11-17(16)9-10-19-7-4-6-18-5-2-3-8-20(18)19/h2-12,15,22H,13-14H2,1H3/q+1/b10-9+
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n/an/a 2.70E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50405559
PNG
(CHEMBL19470)
Show SMILES Cc1c[n+](CCN)ccc1\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C20H21N2/c1-16-15-22(14-12-21)13-11-17(16)9-10-19-7-4-6-18-5-2-3-8-20(18)19/h2-11,13,15H,12,14,21H2,1H3/q+1/b10-9+
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50280248
PNG
(1-Methyl-4-((E)-2-naphthalen-1-yl-vinyl)-pyridiniu...)
Show SMILES C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C18H16N/c1-19-13-11-15(12-14-19)9-10-17-7-4-6-16-5-2-3-8-18(16)17/h2-14H,1H3/q+1/b10-9+
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50405574
PNG
(CHEMBL428683)
Show SMILES CC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H18NO/c1-16(22)15-21-13-11-17(12-14-21)9-10-19-7-4-6-18-5-2-3-8-20(18)19/h2-14H,15H2,1H3/q+1/b10-9+
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n/an/a 3.10E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50405552
PNG
(CHEMBL19487)
Show SMILES CCOC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C21H20NO2/c1-2-24-21(23)16-22-14-12-17(13-15-22)10-11-19-8-5-7-18-6-3-4-9-20(18)19/h3-15H,2,16H2,1H3/q+1/b11-10+
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50405568
PNG
(CHEMBL278742)
Show SMILES OCCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H20NO/c22-16-4-13-21-14-11-17(12-15-21)9-10-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-12,14-15,22H,4,13,16H2/q+1/b10-9+
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n/an/a 3.60E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405563
PNG
(CHEMBL19418)
Show SMILES C(=C/c1cccc2ccccc12)\c1ccncc1
Show InChI InChI=1S/C17H13N/c1-2-7-17-15(4-1)5-3-6-16(17)9-8-14-10-12-18-13-11-14/h1-13H/b9-8+
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n/an/a 3.80E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405564
PNG
(CHEMBL19388)
Show SMILES OC(=O)CC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H17NO2/c22-20(23)12-15-21-13-10-16(11-14-21)8-9-18-6-3-5-17-4-1-2-7-19(17)18/h1-11,13-14H,12,15H2/p+1/b9-8+
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50405555
PNG
(CHEMBL282917)
Show SMILES BrCC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H17BrNO/c21-14-19(23)15-22-12-10-16(11-13-22)8-9-18-6-3-5-17-4-1-2-7-20(17)18/h1-13H,14-15H2/q+1/b9-8+
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405571
PNG
(CHEMBL19456)
Show SMILES Cc1cnccc1\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C18H15N/c1-14-13-19-12-11-15(14)9-10-17-7-4-6-16-5-2-3-8-18(16)17/h2-13H,1H3/b10-9+
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405566
PNG
(CHEMBL19337)
Show SMILES Cc1c[n+](CCC(O)=O)ccc1\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C21H19NO2/c1-16-15-22(14-12-21(23)24)13-11-17(16)9-10-19-7-4-6-18-5-2-3-8-20(18)19/h2-11,13,15H,12,14H2,1H3/p+1/b10-9+
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50405557
PNG
(CHEMBL19325)
Show SMILES Cc1c[n+](CC(N)=O)ccc1\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C20H18N2O/c1-15-13-22(14-20(21)23)12-11-16(15)9-10-18-7-4-6-17-5-2-3-8-19(17)18/h2-13H,14H2,1H3,(H-,21,23)/p+1/b10-9+
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405572
PNG
(CHEMBL19401)
Show SMILES OC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C19H15NO2/c21-19(22)14-20-12-10-15(11-13-20)8-9-17-6-3-5-16-4-1-2-7-18(16)17/h1-13H,14H2/p+1/b9-8+
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n/an/a 4.60E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405550
PNG
(CHEMBL18863)
Show SMILES CCCCCCC(C)OC(=O)CC(=O)C[n+]1ccc(C=Cc2cccc3ccccc23)cc1
Show InChI InChI=1S/C29H34NO3/c1-3-4-5-6-10-23(2)33-29(32)21-27(31)22-30-19-17-24(18-20-30)15-16-26-13-9-12-25-11-7-8-14-28(25)26/h7-9,11-20,23H,3-6,10,21-22H2,1-2H3/q+1
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50405562
PNG
(CHEMBL552981)
Show SMILES C[N+]1=CC=NC1\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C16H15N2/c1-18-12-11-17-16(18)10-9-14-7-4-6-13-5-2-3-8-15(13)14/h2-12,16H,1H3/q+1/b10-9+
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n/an/a 5.10E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50405558
PNG
(CHEMBL19318)
Show SMILES NCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C19H19N2/c20-12-15-21-13-10-16(11-14-21)8-9-18-6-3-5-17-4-1-2-7-19(17)18/h1-11,13-14H,12,15,20H2/q+1/b9-8+
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n/an/a 6.40E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50405573
PNG
(CHEMBL19486)
Show SMILES OCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C19H18NO/c21-15-14-20-12-10-16(11-13-20)8-9-18-6-3-5-17-4-1-2-7-19(17)18/h1-13,21H,14-15H2/q+1/b9-8+
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n/an/a 6.80E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50280247
PNG
(1-Carbamoylmethyl-4-((E)-2-naphthalen-1-yl-vinyl)-...)
Show SMILES NC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C19H16N2O/c20-19(22)14-21-12-10-15(11-13-21)8-9-17-6-3-5-16-4-1-2-7-18(16)17/h1-13H,14H2,(H-,20,22)/p+1/b9-8+
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n/an/a 8.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50405565
PNG
(CHEMBL538103)
Show SMILES CC1[N+](C)=CC=[N+]1C
Show InChI InChI=1S/C6H12N2/c1-6-7(2)4-5-8(6)3/h4-6H,1-3H3/q+2
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n/an/a 1.20E+5n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405570
PNG
(CHEMBL19709)
Show SMILES NC(=O)NC(=O)CBr
Show InChI InChI=1S/C3H5BrN2O2/c4-1-2(7)6-3(5)8/h1H2,(H3,5,6,7,8)
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n/an/a 1.30E+5n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50405561
PNG
(CHEMBL18920)
Show SMILES CCNC(=O)NC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C22H21N3O2/c1-2-23-22(27)24-21(26)16-25-14-12-17(13-15-25)10-11-19-8-5-7-18-6-3-4-9-20(18)19/h3-15H,2,16H2,1H3,(H-,23,24,26,27)/p+1/b11-10+
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n/an/a 1.30E+5n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50405548
PNG
(CHEMBL279153)
Show SMILES NC(=O)NC(=O)C[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H17N3O2/c21-20(25)22-19(24)14-23-12-10-15(11-13-23)8-9-17-6-3-5-16-4-1-2-7-18(16)17/h1-13H,14H2,(H2-,21,22,24,25)/p+1/b9-8+
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n/an/a 1.40E+5n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50405556
PNG
(CHEMBL18766)
Show SMILES NCCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H21N2/c21-13-4-14-22-15-11-17(12-16-22)9-10-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-12,15-16H,4,13-14,21H2/q+1/b10-9+
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n/an/a 2.20E+5n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
BDBM50405560
PNG
(CHEMBL19522)
Show SMILES CCNC(=O)NC(=O)CBr
Show InChI InChI=1S/C5H9BrN2O2/c1-2-7-5(10)8-4(9)3-6/h2-3H2,1H3,(H2,7,8,9,10)
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n/an/a 2.50E+5n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (ChAT) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50405550
PNG
(CHEMBL18863)
Show SMILES CCCCCCC(C)OC(=O)CC(=O)C[n+]1ccc(C=Cc2cccc3ccccc23)cc1
Show InChI InChI=1S/C29H34NO3/c1-3-4-5-6-10-23(2)33-29(32)21-27(31)22-30-19-17-24(18-20-30)15-16-26-13-9-12-25-11-7-8-14-28(25)26/h7-9,11-20,23H,3-6,10,21-22H2,1-2H3/q+1
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n/an/a 3.50E+5n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50405549
PNG
(CHEMBL278309)
Show SMILES CCOC(=O)C(C(=O)OCC)[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C24H24NO4/c1-3-28-23(26)22(24(27)29-4-2)25-16-14-18(15-17-25)12-13-20-10-7-9-19-8-5-6-11-21(19)20/h5-17,22H,3-4H2,1-2H3/q+1/b13-12+
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n/an/a 5.00E+5n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50405566
PNG
(CHEMBL19337)
Show SMILES Cc1c[n+](CCC(O)=O)ccc1\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C21H19NO2/c1-16-15-22(14-12-21(23)24)13-11-17(16)9-10-19-7-4-6-18-5-2-3-8-20(18)19/h2-11,13,15H,12,14H2,1H3/p+1/b10-9+
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n/an/a 7.50E+5n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50405564
PNG
(CHEMBL19388)
Show SMILES OC(=O)CC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C20H17NO2/c22-20(23)12-15-21-13-10-16(11-14-21)8-9-18-6-3-5-17-4-1-2-7-19(17)18/h1-11,13-14H,12,15H2/p+1/b9-8+
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n/an/a 1.00E+6n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE) activity


J Med Chem 31: 117-21 (1988)


Article DOI: 10.1021/jm00396a017
BindingDB Entry DOI: 10.7270/Q2XD12VJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%