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Found 122 hits Enz. Inhib. hit(s) with Target = 'Choline acetylase'   
Target
(Institution)
LigandTarget
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
Choline Acetyltransferase


(RAT)
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/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 5.30n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against acetylcholinesterase


J Med Chem 35: 584-9 (1992)

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)

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)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
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 300n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

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)

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)

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)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
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 400n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Choline Acetyltransferase


J Med Chem 37: 3128-31 (1994)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50407203
PNG
(CHEMBL323262)
Show SMILES Cc1c[n+](C)ccc1\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C19H18N/c1-15-14-20(2)13-12-16(15)10-11-18-8-5-7-17-6-3-4-9-19(17)18/h3-14H,1-2H3/q+1/b11-10+
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n/an/a 400n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Choline Acetyltransferase


J Med Chem 37: 3128-31 (1994)

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)

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)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405657
PNG
(CHEMBL262139)
Show SMILES C[n+]1ccc(cc1)C#Cc1cccc2ccccc12
Show InChI InChI=1S/C18H14N/c1-19-13-11-15(12-14-19)9-10-17-7-4-6-16-5-2-3-8-18(16)17/h2-8,11-14H,1H3/q+1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

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)

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)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50407207
PNG
(CHEMBL419730)
Show SMILES C[n+]1ccc(\C=N\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C17H15N2/c1-19-11-9-14(10-12-19)13-18-17-8-4-6-15-5-2-3-7-16(15)17/h2-13H,1H3/q+1/b18-13+
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Choline Acetyltransferase


J Med Chem 37: 3128-31 (1994)

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)

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)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405680
PNG
(CHEMBL354870)
Show SMILES C[n+]1ccccc1\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C18H16N/c1-19-14-5-4-10-17(19)13-12-16-9-6-8-15-7-2-3-11-18(15)16/h2-14H,1H3/q+1/b13-12+
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n/an/a 2.20E+3n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50407200
PNG
(CHEMBL107333)
Show SMILES C[n+]1ccc(\C=C\c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C14H13ClN/c1-16-9-7-12(8-10-16)5-6-13-3-2-4-14(15)11-13/h2-11H,1H3/q+1/b6-5+
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Choline Acetyltransferase


J Med Chem 37: 3128-31 (1994)

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)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
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 3.00E+3n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50407210
PNG
(CHEMBL316739)
Show SMILES C[n+]1ccc(\C=C\c2ccccc2)c2ccccc12
Show InChI InChI=1S/C18H16N/c1-19-14-13-16(17-9-5-6-10-18(17)19)12-11-15-7-3-2-4-8-15/h2-14H,1H3/q+1/b12-11+
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Choline Acetyltransferase


J Med Chem 37: 3128-31 (1994)

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)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405665
PNG
(CHEMBL354158)
Show SMILES CC(=O)[NH+]=c1cc(C=Cc2cccc3ccccc23)ccn1C
Show InChI InChI=1S/C20H18N2O/c1-15(23)21-20-14-16(12-13-22(20)2)10-11-18-8-5-7-17-6-3-4-9-19(17)18/h3-14H,1-2H3/p+1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

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)

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)

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)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405671
PNG
(CHEMBL168155)
Show SMILES CCCCCC[n+]1ccc(\C=C\c2cccc3ccccc23)cc1
Show InChI InChI=1S/C23H26N/c1-2-3-4-7-17-24-18-15-20(16-19-24)13-14-22-11-8-10-21-9-5-6-12-23(21)22/h5-6,8-16,18-19H,2-4,7,17H2,1H3/q+1/b14-13+
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n/an/a 4.20E+3n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405673
PNG
(CHEMBL433527)
Show SMILES CN1CCC(\C=C\c2cccc3ccccc23)=CC1
Show InChI InChI=1S/C18H19N/c1-19-13-11-15(12-14-19)9-10-17-7-4-6-16-5-2-3-8-18(16)17/h2-11H,12-14H2,1H3/b10-9+
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n/an/a 4.30E+3n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405668
PNG
(CHEMBL170902)
Show SMILES C[n+]1ccc(\C=C\c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C14H12Cl2N/c1-17-8-6-11(7-9-17)2-3-12-4-5-13(15)14(16)10-12/h2-10H,1H3/q+1/b3-2+
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n/an/a 4.50E+3n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50407201
PNG
(CHEMBL106787)
Show SMILES Cc1c[n+](C)ccc1\C=C\c1ccccc1
Show InChI InChI=1S/C15H16N/c1-13-12-16(2)11-10-15(13)9-8-14-6-4-3-5-7-14/h3-12H,1-2H3/q+1/b9-8+
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Choline Acetyltransferase


J Med Chem 37: 3128-31 (1994)

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)

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)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405664
PNG
(CHEMBL353720)
Show SMILES Cn1ccc(\C=C\c2cccc3ccccc23)cc1=[NH2+]
Show InChI InChI=1S/C18H16N2/c1-20-12-11-14(13-18(20)19)9-10-16-7-4-6-15-5-2-3-8-17(15)16/h2-13,19H,1H3/p+1/b10-9+,19-18?
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n/an/a 5.30E+3n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline 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)

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)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405681
PNG
(CHEMBL106928 | CHEMBL441492)
Show SMILES C[n+]1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C14H14N/c1-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3/q+1/b8-7+
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n/an/a 1.20E+4n/an/an/an/an/an/a



Dynamac Corporation

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase (CAT) enzyme


J Med Chem 31: 807-14 (1988)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50405681
PNG
(CHEMBL106928 | CHEMBL441492)
Show SMILES C[n+]1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C14H14N/c1-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3/q+1/b8-7+
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n/an/a 1.35E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Choline Acetyltransferase


J Med Chem 37: 3128-31 (1994)

More data for this
Ligand-Target Pair
Choline 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)

More data for this
Ligand-Target Pair
Choline 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)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50407206
PNG
(CHEMBL107632)
Show SMILES CCc1c[n+](C)ccc1\C=C\c1ccccc1
Show InChI InChI=1S/C16H18N/c1-3-15-13-17(2)12-11-16(15)10-9-14-7-5-4-6-8-14/h4-13H,3H2,1-2H3/q+1/b10-9+
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Choline Acetyltransferase


J Med Chem 37: 3128-31 (1994)

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)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50407202
PNG
(CHEMBL321318)
Show SMILES C[n+]1ccc(\C=C\c2ccccc2Cl)cc1
Show InChI InChI=1S/C14H13ClN/c1-16-10-8-12(9-11-16)6-7-13-4-2-3-5-14(13)15/h2-11H,1H3/q+1/b7-6+
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n/an/a 2.80E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Choline Acetyltransferase


J Med Chem 37: 3128-31 (1994)

More data for this
Ligand-Target Pair
Choline acetylase


(Gallus gallus)
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 2.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against chick optic lobe choline acetyltransferase (ChAT)


Citation and Details
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 3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against rat choline acetyltransferase (ChAT)


Citation and Details
More data for this
Ligand-Target Pair
Choline acetylase


(Gallus gallus)
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 3.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against chick optic lobe choline acetyltransferase (ChAT)


Citation and Details
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)

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)

More data for this
Ligand-Target Pair
Choline acetylase


(Gallus gallus)
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 4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against chick optic lobe choline acetyltransferase (ChAT)


Citation and Details
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)

More data for this
Ligand-Target Pair
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