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Compile Data Set for Download or QSAR

Found 363 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)'   
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 and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50014107
PNG
((-)-(4-Methoxy-phenyl)-carbamic acid 1,3a,8-trimet...)
Show SMILES COc1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(C)CC[C@@]4(C)c3c2)cc1
Show InChI InChI=1S/C21H25N3O3/c1-21-11-12-23(2)19(21)24(3)18-10-9-16(13-17(18)21)27-20(25)22-14-5-7-15(26-4)8-6-14/h5-10,13,19H,11-12H2,1-4H3,(H,22,25)/t19-,21+/m1/s1
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n/an/a 5.80n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of rat plasma BChE by Ellman's method


Bioorg Med Chem Lett 20: 1532-4 (2010)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 7.60n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of rat plasma BChE by Ellman's method


Bioorg Med Chem Lett 20: 1532-4 (2010)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50100592
PNG
(CHEMBL3321889)
Show SMILES COc1cc(ccc1OC(=O)N(C)C)C(C)N1CCCCC1
Show InChI InChI=1/C17H26N2O3/c1-13(19-10-6-5-7-11-19)14-8-9-15(16(12-14)21-4)22-17(20)18(2)3/h8-9,12-13H,5-7,10-11H2,1-4H3
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n/an/a 8n/an/an/an/an/an/a



School of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China.

Curated by ChEMBL


Assay Description
Inhibition of BChE in rat serum using butyrylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 8.10n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Butyrylcholinesterase


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 8.10n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against butyrylcholinesterase (BuChE) obtained from rat plasma


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 8.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined in in vitro for Butyrylcholinesterase in rat plasma


Bioorg Med Chem Lett 2: 871-876 (1992)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50313191
PNG
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)
Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccc(C)c(Cl)c3)cc21
Show InChI InChI=1S/C21H24ClN3O2/c1-13-5-6-14(11-17(13)22)23-20(26)27-15-7-8-18-16(12-15)21(2)9-10-24(3)19(21)25(18)4/h5-8,11-12,19H,9-10H2,1-4H3,(H,23,26)/t19-,21+/m1/s1
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n/an/a 8.5n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of rat plasma BChE by Ellman's method


Bioorg Med Chem Lett 20: 1532-4 (2010)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
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 9n/an/an/an/an/an/a



Università di Bologna

Curated by ChEMBL


Assay Description
Inhibition of rat plasma butyrylcholine esterase in presence of butyrylcholine substrate by chemiluminescent assay


Eur J Med Chem 43: 657-61 (2008)

Checked by Author
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50100597
PNG
(CHEMBL3321877)
Show SMILES COc1ccc(CN2CCCCC2)cc1OC(=O)N(C)C
Show InChI InChI=1S/C16H24N2O3/c1-17(2)16(19)21-15-11-13(7-8-14(15)20-3)12-18-9-5-4-6-10-18/h7-8,11H,4-6,9-10,12H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



School of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China.

Curated by ChEMBL


Assay Description
Inhibition of BChE in rat serum using butyrylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50100578
PNG
(CHEMBL3321887)
Show SMILES COc1cc(CN2CCCC2)ccc1OC(=O)N(C)C
Show InChI InChI=1S/C15H22N2O3/c1-16(2)15(18)20-13-7-6-12(10-14(13)19-3)11-17-8-4-5-9-17/h6-7,10H,4-5,8-9,11H2,1-3H3
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n/an/a 12n/an/an/an/an/an/a



School of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China.

Curated by ChEMBL


Assay Description
Inhibition of BChE in rat serum using butyrylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM8980
PNG
(N-[(1-benzylpiperidin-4-yl)methyl]-2-(1,2,3,4-tetr...)
Show SMILES O=C(CNc1c2CCCCc2nc2ccccc12)NCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H34N4O/c33-27(29-18-21-14-16-32(17-15-21)20-22-8-2-1-3-9-22)19-30-28-23-10-4-6-12-25(23)31-26-13-7-5-11-24(26)28/h1-4,6,8-10,12,21H,5,7,11,13-20H2,(H,29,33)(H,30,31)
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n/an/a 12.4n/an/an/an/a8.025



Shanghai Institute of Materia Medica



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...


Bioorg Med Chem Lett 14: 4639-42 (2004)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50313194
PNG
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)
Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3cccc4ccccc34)cc21
Show InChI InChI=1S/C24H25N3O2/c1-24-13-14-26(2)22(24)27(3)21-12-11-17(15-19(21)24)29-23(28)25-20-10-6-8-16-7-4-5-9-18(16)20/h4-12,15,22H,13-14H2,1-3H3,(H,25,28)/t22-,24+/m1/s1
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n/an/a 14.1n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of rat plasma BChE by Ellman's method


Bioorg Med Chem Lett 20: 1532-4 (2010)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50313184
PNG
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)
Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccc(Br)cc3)cc21
Show InChI InChI=1S/C20H22BrN3O2/c1-20-10-11-23(2)18(20)24(3)17-9-8-15(12-16(17)20)26-19(25)22-14-6-4-13(21)5-7-14/h4-9,12,18H,10-11H2,1-3H3,(H,22,25)/t18-,20+/m1/s1
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n/an/a 14.9n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of rat plasma BChE by Ellman's method


Bioorg Med Chem Lett 20: 1532-4 (2010)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50100594
PNG
(CHEMBL3321874)
Show SMILES COc1cc(ccc1OC(=O)N(C)C)C(C)N1CCCC1
Show InChI InChI=1/C16H24N2O3/c1-12(18-9-5-6-10-18)13-7-8-14(15(11-13)20-4)21-16(19)17(2)3/h7-8,11-12H,5-6,9-10H2,1-4H3
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n/an/a 18n/an/an/an/an/an/a



School of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China.

Curated by ChEMBL


Assay Description
Inhibition of BChE in rat serum using butyrylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50100576
PNG
(CHEMBL3321885)
Show SMILES COc1cc(CN2CCCCC2)ccc1OC(=O)N(C)C
Show InChI InChI=1S/C16H24N2O3/c1-17(2)16(19)21-14-8-7-13(11-15(14)20-3)12-18-9-5-4-6-10-18/h7-8,11H,4-6,9-10,12H2,1-3H3
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n/an/a 24n/an/an/an/an/an/a



School of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China.

Curated by ChEMBL


Assay Description
Inhibition of BChE in rat serum using butyrylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50100570
PNG
(CHEMBL3321879)
Show SMILES COc1ccc(CN2CCCC2)cc1OC(=O)N(C)C
Show InChI InChI=1S/C15H22N2O3/c1-16(2)15(18)20-14-10-12(6-7-13(14)19-3)11-17-8-4-5-9-17/h6-7,10H,4-5,8-9,11H2,1-3H3
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n/an/a 29n/an/an/an/an/an/a



School of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China.

Curated by ChEMBL


Assay Description
Inhibition of BChE in rat serum using butyrylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50100572
PNG
(CHEMBL3321881)
Show SMILES COc1ccc(cc1OC(=O)N(C)C)C(C)N1CCCCC1
Show InChI InChI=1/C17H26N2O3/c1-13(19-10-6-5-7-11-19)14-8-9-15(21-4)16(12-14)22-17(20)18(2)3/h8-9,12-13H,5-7,10-11H2,1-4H3
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n/an/a 34n/an/an/an/an/an/a



School of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China.

Curated by ChEMBL


Assay Description
Inhibition of BChE in rat serum using butyrylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50100579
PNG
(CHEMBL3321888)
Show SMILES CCN(CC)Cc1ccc(OC(=O)N(C)C)c(OC)c1
Show InChI InChI=1S/C15H24N2O3/c1-6-17(7-2)11-12-8-9-13(14(10-12)19-5)20-15(18)16(3)4/h8-10H,6-7,11H2,1-5H3
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n/an/a 35n/an/an/an/an/an/a



School of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China.

Curated by ChEMBL


Assay Description
Inhibition of BChE in rat serum using butyrylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50313188
PNG
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)
Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccccc3Br)cc21
Show InChI InChI=1S/C20H22BrN3O2/c1-20-10-11-23(2)18(20)24(3)17-9-8-13(12-14(17)20)26-19(25)22-16-7-5-4-6-15(16)21/h4-9,12,18H,10-11H2,1-3H3,(H,22,25)/t18-,20+/m1/s1
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n/an/a 39.6n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of rat plasma BChE by Ellman's method


Bioorg Med Chem Lett 20: 1532-4 (2010)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
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 44n/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Biol Chem 271: 23646-9 (1996)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
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 54.7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibitory activity against Butyrylcholinesterase


Bioorg Med Chem Lett 7: 2599-2602 (1997)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 58.4n/an/an/an/an/an/a



Meiji Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in Wistar rat plasma using acetylthiocholine iodide as substrate after 0.5 hrs by Ellman's method


Bioorg Med Chem 20: 4901-14 (2012)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50313183
PNG
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)
Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccc(Cl)cc3)cc21
Show InChI InChI=1S/C20H22ClN3O2/c1-20-10-11-23(2)18(20)24(3)17-9-8-15(12-16(17)20)26-19(25)22-14-6-4-13(21)5-7-14/h4-9,12,18H,10-11H2,1-3H3,(H,22,25)/t18-,20+/m1/s1
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n/an/a 61.3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of rat plasma BChE by Ellman's method


Bioorg Med Chem Lett 20: 1532-4 (2010)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50100595
PNG
(CHEMBL3321875)
Show SMILES CCN(CC)C(C)c1ccc(OC(=O)N(C)C)c(OC)c1
Show InChI InChI=1/C16H26N2O3/c1-7-18(8-2)12(3)13-9-10-14(15(11-13)20-6)21-16(19)17(4)5/h9-12H,7-8H2,1-6H3
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n/an/a 63n/an/an/an/an/an/a



School of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China.

Curated by ChEMBL


Assay Description
Inhibition of BChE in rat serum using butyrylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
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 73n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Butyrylcholinesterase obtained from rat plasma


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
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 73n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Butyrylcholinesterase


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
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 73n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined in in vitro for Butyrylcholinesterase in rat plasma


Bioorg Med Chem Lett 2: 871-876 (1992)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM8979
PNG
(CHEMBL486901 | N-[2-(1-benzylpiperidin-4-yl)ethyl]...)
Show SMILES O=C(CNc1c2CCCCc2nc2ccccc12)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H36N4O/c34-28(30-17-14-22-15-18-33(19-16-22)21-23-8-2-1-3-9-23)20-31-29-24-10-4-6-12-26(24)32-27-13-7-5-11-25(27)29/h1-4,6,8-10,12,22H,5,7,11,13-21H2,(H,30,34)(H,31,32)
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n/an/a 76n/an/an/an/a8.025



Shanghai Institute of Materia Medica



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...


Bioorg Med Chem Lett 14: 4639-42 (2004)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM8979
PNG
(CHEMBL486901 | N-[2-(1-benzylpiperidin-4-yl)ethyl]...)
Show SMILES O=C(CNc1c2CCCCc2nc2ccccc12)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H36N4O/c34-28(30-17-14-22-15-18-33(19-16-22)21-23-8-2-1-3-9-23)20-31-29-24-10-4-6-12-26(24)32-27-13-7-5-11-25(27)29/h1-4,6,8-10,12,22H,5,7,11,13-21H2,(H,30,34)(H,31,32)
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n/an/a 76n/an/an/an/an/an/a



Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL


Assay Description
Inhibition of rat serum BChE


J Med Chem 51: 3588-98 (2008)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50100571
PNG
(CHEMBL3321880)
Show SMILES CCN(CC)Cc1ccc(OC)c(OC(=O)N(C)C)c1
Show InChI InChI=1S/C15H24N2O3/c1-6-17(7-2)11-12-8-9-13(19-5)14(10-12)20-15(18)16(3)4/h8-10H,6-7,11H2,1-5H3
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n/an/a 79n/an/an/an/an/an/a



School of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China.

Curated by ChEMBL


Assay Description
Inhibition of BChE in rat serum using butyrylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50080157
PNG
((RS)-tacrine(10)-hupyridone | 5-[10-(1,2,3,4-Tetra...)
Show SMILES O=c1ccc2C(CCCc2[nH]1)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H44N4O/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)
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n/an/a 81.5n/an/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory potency against rat serum Butyrylcholinesterase with BW284c51 as AChE inhibitor


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50080157
PNG
((RS)-tacrine(10)-hupyridone | 5-[10-(1,2,3,4-Tetra...)
Show SMILES O=c1ccc2C(CCCc2[nH]1)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H44N4O/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)
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n/an/a 82n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of rat BuChE


J Med Chem 51: 3154-70 (2008)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50100574
PNG
(CHEMBL3321883)
Show SMILES COc1ccc(cc1OC(=O)N(C)C)C(C)N1CCCC1
Show InChI InChI=1/C16H24N2O3/c1-12(18-9-5-6-10-18)13-7-8-14(20-4)15(11-13)21-16(19)17(2)3/h7-8,11-12H,5-6,9-10H2,1-4H3
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n/an/a 82n/an/an/an/an/an/a



School of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China.

Curated by ChEMBL


Assay Description
Inhibition of BChE in rat serum using butyrylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50313187
PNG
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)
Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccccc3Cl)cc21
Show InChI InChI=1S/C20H22ClN3O2/c1-20-10-11-23(2)18(20)24(3)17-9-8-13(12-14(17)20)26-19(25)22-16-7-5-4-6-15(16)21/h4-9,12,18H,10-11H2,1-3H3,(H,22,25)/t18-,20+/m1/s1
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n/an/a 88.7n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of rat plasma BChE by Ellman's method


Bioorg Med Chem Lett 20: 1532-4 (2010)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
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 92n/an/an/an/an/an/a



Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL


Assay Description
Inhibition of rat serum BChE


J Med Chem 51: 3588-98 (2008)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
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 92n/an/an/an/an/an/a



Hong Kong University of Science and Technology



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 42: 4225-31 (1999)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
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 92n/an/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory potency against rat serum Butyrylcholinesterase with BW284c51 as AChE inhibitor


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
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 92n/an/an/an/a7.437



Hong Kong University of Science and Technology



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


Bioorg Med Chem 7: 351-7 (1999)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
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 92n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of rat serum BuChE


J Med Chem 49: 5491-500 (2006)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
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 92n/an/an/an/a8.025



Shanghai Institute of Materia Medica



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...


Bioorg Med Chem Lett 14: 4639-42 (2004)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM10478
PNG
(A2A.2HCl | Bis-THA inhibitor 1 | CHEMBL213377 | N-...)
Show SMILES C(CNc1c2CCCCc2nc2ccccc12)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H30N4/c1-5-13-23-19(9-1)27(20-10-2-6-14-24(20)31-23)29-17-18-30-28-21-11-3-7-15-25(21)32-26-16-8-4-12-22(26)28/h1,3,5,7,9,11,13,15H,2,4,6,8,10,12,14,16-18H2,(H,29,31)(H,30,32)
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n/an/a 102n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of rat serum BuChE


J Med Chem 49: 5491-500 (2006)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM10478
PNG
(A2A.2HCl | Bis-THA inhibitor 1 | CHEMBL213377 | N-...)
Show SMILES C(CNc1c2CCCCc2nc2ccccc12)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C28H30N4/c1-5-13-23-19(9-1)27(20-10-2-6-14-24(20)31-23)29-17-18-30-28-21-11-3-7-15-25(21)32-26-16-8-4-12-22(26)28/h1,3,5,7,9,11,13,15H,2,4,6,8,10,12,14,16-18H2,(H,29,31)(H,30,32)
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n/an/a 102n/an/an/an/a7.437



Hong Kong University of Science and Technology



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


Bioorg Med Chem 7: 351-7 (1999)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM10958
PNG
((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccccc3)cc21
Show InChI InChI=1S/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20+/m1/s1
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n/an/a 104n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of rat plasma BChE by Ellman's method


Bioorg Med Chem Lett 20: 1532-4 (2010)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM8964
PNG
(CHEMBL75274 | Homodimeric Tacrine Analog 3c | N-[8...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H42N4/c1(3-13-23-35-33-25-15-5-9-19-29(25)37-30-20-10-6-16-26(30)33)2-4-14-24-36-34-27-17-7-11-21-31(27)38-32-22-12-8-18-28(32)34/h5,7,9,11,15,17,19,21H,1-4,6,8,10,12-14,16,18,20,22-24H2,(H,35,37)(H,36,38)
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n/an/a 105n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of rat serum BuChE


J Med Chem 49: 5491-500 (2006)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM8964
PNG
(CHEMBL75274 | Homodimeric Tacrine Analog 3c | N-[8...)
Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C34H42N4/c1(3-13-23-35-33-25-15-5-9-19-29(25)37-30-20-10-6-16-26(30)33)2-4-14-24-36-34-27-17-7-11-21-31(27)38-32-22-12-8-18-28(32)34/h5,7,9,11,15,17,19,21H,1-4,6,8,10,12-14,16,18,20,22-24H2,(H,35,37)(H,36,38)
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n/an/a 105n/an/an/an/an/an/a



Hong Kong University of Science and Technology



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 42: 4225-31 (1999)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50313185
PNG
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)
Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3cccc(Cl)c3)cc21
Show InChI InChI=1S/C20H22ClN3O2/c1-20-9-10-23(2)18(20)24(3)17-8-7-15(12-16(17)20)26-19(25)22-14-6-4-5-13(21)11-14/h4-8,11-12,18H,9-10H2,1-3H3,(H,22,25)/t18-,20+/m1/s1
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n/an/a 105n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of rat plasma BChE by Ellman's method


Bioorg Med Chem Lett 20: 1532-4 (2010)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50292567
PNG
(CHEMBL484705 | tacrine(8)-4-aminoquinoline)
Show SMILES C(CCCCN=C1C2CCCCC2Nc2ccccc12)CCCNC1CCNC2CCCCC12
Show InChI InChI=1S/C30H48N4/c1(3-11-20-31-27-19-22-32-26-16-8-5-13-23(26)27)2-4-12-21-33-30-24-14-6-9-17-28(24)34-29-18-10-7-15-25(29)30/h6,9,14,17,23,25-27,29,31-32,34H,1-5,7-8,10-13,15-16,18-22H2
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n/an/a 110n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of rat BuChE


J Med Chem 51: 3154-70 (2008)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM9440
PNG
(CHEMBL1084775 | Heterodimeric Tacrine-Based Inhibi...)
Show SMILES C(CCCNc1ccnc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C29H34N4/c1(2-10-19-30-26-18-21-31-25-15-7-4-12-22(25)26)3-11-20-32-29-23-13-5-8-16-27(23)33-28-17-9-6-14-24(28)29/h4-5,7-8,12-13,15-16,18,21H,1-3,6,9-11,14,17,19-20H2,(H,30,31)(H,32,33)
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n/an/a 110n/an/an/an/an/an/a



Hong Kong University of Science and Technology



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 42: 4225-31 (1999)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50313190
PNG
(1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...)
Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3cccc(Cl)c3C)cc21
Show InChI InChI=1S/C21H24ClN3O2/c1-13-16(22)6-5-7-17(13)23-20(26)27-14-8-9-18-15(12-14)21(2)10-11-24(3)19(21)25(18)4/h5-9,12,19H,10-11H2,1-4H3,(H,23,26)/t19-,21+/m1/s1
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n/an/a 114n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of rat plasma BChE by Ellman's method


Bioorg Med Chem Lett 20: 1532-4 (2010)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM9047
PNG
(Bis-THA inhibitor 5 | CHEMBL73800 | Hexylene-Linke...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C32H38N4/c1(11-21-33-31-23-13-3-7-17-27(23)35-28-18-8-4-14-24(28)31)2-12-22-34-32-25-15-5-9-19-29(25)36-30-20-10-6-16-26(30)32/h3,5,7,9,13,15,17,19H,1-2,4,6,8,10-12,14,16,18,20-22H2,(H,33,35)(H,34,36)
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n/an/a 119n/an/an/an/a7.437



Hong Kong University of Science and Technology



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


Bioorg Med Chem 7: 351-7 (1999)

More data for this
Ligand-Target Pair
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