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PubMed code 25082512

Compile data set for download or QSAR
Found 38 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
Carboxylic ester hydrolase


(Rattus norvegicus (rat))
BDBM50100592
PNG
(CHEMBL3321889)
Show SMILES COc1cc(ccc1OC(=O)N(C)C)C(C)N1CCCCC1
Show InChI InChI=1S/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



Zhejiang University

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)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(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



Zhejiang University

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)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (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 11n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carboxylic ester hydrolase


(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



Zhejiang University

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)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Rattus norvegicus (rat))
BDBM50100594
PNG
(CHEMBL3321874)
Show SMILES COc1cc(ccc1OC(=O)N(C)C)C(C)N1CCCC1
Show InChI InChI=1S/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



Zhejiang University

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)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(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



Zhejiang University

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)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(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



Zhejiang University

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)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Rattus norvegicus (rat))
BDBM50100572
PNG
(CHEMBL3321881)
Show SMILES COc1ccc(cc1OC(=O)N(C)C)C(C)N1CCCCC1
Show InChI InChI=1S/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



Zhejiang University

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)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(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



Zhejiang University

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)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Rattus norvegicus (rat))
BDBM50100595
PNG
(CHEMBL3321875)
Show SMILES CCN(CC)C(C)c1ccc(OC(=O)N(C)C)c(OC)c1
Show InChI InChI=1S/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



Zhejiang University

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)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(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



Zhejiang University

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)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Rattus norvegicus (rat))
BDBM50100574
PNG
(CHEMBL3321883)
Show SMILES COc1ccc(cc1OC(=O)N(C)C)C(C)N1CCCC1
Show InChI InChI=1S/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



Zhejiang University

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)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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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Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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 110n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50100592
PNG
(CHEMBL3321889)
Show SMILES COc1cc(ccc1OC(=O)N(C)C)C(C)N1CCCCC1
Show InChI InChI=1S/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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Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Rattus norvegicus (rat))
BDBM50100569
PNG
(CHEMBL3321878)
Show SMILES COc1ccc(CN2CCOCC2)cc1OC(=O)N(C)C
Show InChI InChI=1S/C15H22N2O4/c1-16(2)15(18)21-14-10-12(4-5-13(14)19-3)11-17-6-8-20-9-7-17/h4-5,10H,6-9,11H2,1-3H3
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n/an/a 120n/an/an/an/an/an/a



Zhejiang University

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)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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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Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Rattus norvegicus (rat))
BDBM50100575
PNG
(CHEMBL3321884)
Show SMILES CCN(CC)C(C)c1ccc(OC)c(OC(=O)N(C)C)c1
Show InChI InChI=1S/C16H26N2O3/c1-7-18(8-2)12(3)13-9-10-14(20-6)15(11-13)21-16(19)17(4)5/h9-12H,7-8H2,1-6H3
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Zhejiang University

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)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50100594
PNG
(CHEMBL3321874)
Show SMILES COc1cc(ccc1OC(=O)N(C)C)C(C)N1CCCC1
Show InChI InChI=1S/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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Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50100595
PNG
(CHEMBL3321875)
Show SMILES CCN(CC)C(C)c1ccc(OC(=O)N(C)C)c(OC)c1
Show InChI InChI=1S/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 240n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Rattus norvegicus (rat))
BDBM50100573
PNG
(CHEMBL3321882)
Show SMILES COc1ccc(cc1OC(=O)N(C)C)C(C)N1CCOCC1
Show InChI InChI=1S/C16H24N2O4/c1-12(18-7-9-21-10-8-18)13-5-6-14(20-4)15(11-13)22-16(19)17(2)3/h5-6,11-12H,7-10H2,1-4H3
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n/an/a 270n/an/an/an/an/an/a



Zhejiang University

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)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Rattus norvegicus (rat))
BDBM50100593
PNG
(CHEMBL3321890)
Show SMILES COc1cc(ccc1OC(=O)N(C)C)C(C)N1CCOCC1
Show InChI InChI=1S/C16H24N2O4/c1-12(18-7-9-21-10-8-18)13-5-6-14(15(11-13)20-4)22-16(19)17(2)3/h5-6,11-12H,7-10H2,1-4H3
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n/an/a 310n/an/an/an/an/an/a



Zhejiang University

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)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Rattus norvegicus (rat))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



Zhejiang University

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)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Rattus norvegicus (rat))
BDBM50100577
PNG
(CHEMBL3321886)
Show SMILES COc1cc(CN2CCOCC2)ccc1OC(=O)N(C)C
Show InChI InChI=1S/C15H22N2O4/c1-16(2)15(18)21-13-5-4-12(10-14(13)19-3)11-17-6-8-20-9-7-17/h4-5,10H,6-9,11H2,1-3H3
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n/an/a 430n/an/an/an/an/an/a



Zhejiang University

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)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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 660n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Rattus norvegicus (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 1.28E+3n/an/an/an/an/an/a



Zhejiang University

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)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50100572
PNG
(CHEMBL3321881)
Show SMILES COc1ccc(cc1OC(=O)N(C)C)C(C)N1CCCCC1
Show InChI InChI=1S/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 1.42E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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 1.48E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50100577
PNG
(CHEMBL3321886)
Show SMILES COc1cc(CN2CCOCC2)ccc1OC(=O)N(C)C
Show InChI InChI=1S/C15H22N2O4/c1-16(2)15(18)21-13-5-4-12(10-14(13)19-3)11-17-6-8-20-9-7-17/h4-5,10H,6-9,11H2,1-3H3
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n/an/a 1.71E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50100574
PNG
(CHEMBL3321883)
Show SMILES COc1ccc(cc1OC(=O)N(C)C)C(C)N1CCCC1
Show InChI InChI=1S/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 1.92E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 2.07E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50100575
PNG
(CHEMBL3321884)
Show SMILES CCN(CC)C(C)c1ccc(OC)c(OC(=O)N(C)C)c1
Show InChI InChI=1S/C16H26N2O3/c1-7-18(8-2)12(3)13-9-10-14(20-6)15(11-13)21-16(19)17(4)5/h9-12H,7-8H2,1-6H3
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n/an/a 2.77E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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 2.87E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Rattus norvegicus (rat))
BDBM50100596
PNG
(CHEMBL3321876)
Show SMILES COc1cccc(CN2CCCCC2)c1OC(=O)N(C)C
Show InChI InChI=1S/C16H24N2O3/c1-17(2)16(19)21-15-13(8-7-9-14(15)20-3)12-18-10-5-4-6-11-18/h7-9H,4-6,10-12H2,1-3H3
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n/an/a 3.13E+3n/an/an/an/an/an/a



Zhejiang University

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)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50100593
PNG
(CHEMBL3321890)
Show SMILES COc1cc(ccc1OC(=O)N(C)C)C(C)N1CCOCC1
Show InChI InChI=1S/C16H24N2O4/c1-12(18-7-9-21-10-8-18)13-5-6-14(15(11-13)20-4)22-16(19)17(2)3/h5-6,11-12H,7-10H2,1-4H3
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n/an/a 4.98E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50100569
PNG
(CHEMBL3321878)
Show SMILES COc1ccc(CN2CCOCC2)cc1OC(=O)N(C)C
Show InChI InChI=1S/C15H22N2O4/c1-16(2)15(18)21-14-10-12(4-5-13(14)19-3)11-17-6-8-20-9-7-17/h4-5,10H,6-9,11H2,1-3H3
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n/an/a 2.08E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50100596
PNG
(CHEMBL3321876)
Show SMILES COc1cccc(CN2CCCCC2)c1OC(=O)N(C)C
Show InChI InChI=1S/C16H24N2O3/c1-17(2)16(19)21-15-13(8-7-9-14(15)20-3)12-18-10-5-4-6-11-18/h7-9H,4-6,10-12H2,1-3H3
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n/an/a 2.27E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50100573
PNG
(CHEMBL3321882)
Show SMILES COc1ccc(cc1OC(=O)N(C)C)C(C)N1CCOCC1
Show InChI InChI=1S/C16H24N2O4/c1-12(18-7-9-21-10-8-18)13-5-6-14(20-4)15(11-13)22-16(19)17(2)3/h5-6,11-12H,7-10H2,1-4H3
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n/an/a 2.33E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex homogenates using acetylthiocholine iodide substrate incubated for 15 mins by UV spectroscopy based Ellman's method


Bioorg Med Chem 22: 4717-25 (2014)


Article DOI: 10.1016/j.bmc.2014.07.009
BindingDB Entry DOI: 10.7270/Q22809B6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%