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PubMed code 25205193

Compile data set for download or QSAR
Found 10 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))		BDBM50026058
PNG
(CHEMBL3335259)
Show SMILES COc1cc(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1CN1CCCCC1
Show InChI InChI=1S/C23H27NO4/c1-27-20-15-21(28-2)22(19(25)12-11-17-9-5-3-6-10-17)23(26)18(20)16-24-13-7-4-8-14-24/h3,5-6,9-12,15,26H,4,7-8,13-14,16H2,1-2H3/b12-11+
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 2.75E+3n/an/an/an/an/an/an/an/a



Hunan University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain AChE by Michaelis-Menten equation

Bioorg Med Chem Lett 24: 4749-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.087
BindingDB Entry DOI: 10.7270/Q2PR7XKV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50026058
PNG
(CHEMBL3335259)
Show SMILES COc1cc(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1CN1CCCCC1
Show InChI InChI=1S/C23H27NO4/c1-27-20-15-21(28-2)22(19(25)12-11-17-9-5-3-6-10-17)23(26)18(20)16-24-13-7-4-8-14-24/h3,5-6,9-12,15,26H,4,7-8,13-14,16H2,1-2H3/b12-11+
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 4.58E+3n/an/an/an/an/an/an/an/a



Hunan University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate by Michaelis-Menten equation

Bioorg Med Chem Lett 24: 4749-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.087
BindingDB Entry DOI: 10.7270/Q2PR7XKV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50026058
PNG
(CHEMBL3335259)
Show SMILES COc1cc(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1CN1CCCCC1
Show InChI InChI=1S/C23H27NO4/c1-27-20-15-21(28-2)22(19(25)12-11-17-9-5-3-6-10-17)23(26)18(20)16-24-13-7-4-8-14-24/h3,5-6,9-12,15,26H,4,7-8,13-14,16H2,1-2H3/b12-11+
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n/an/a 4.15E+3n/an/an/an/an/an/a



Hunan University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate preincubated for 25 mins by Ellman's/UV-vis spectroscopy analy...

Bioorg Med Chem Lett 24: 4749-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.087
BindingDB Entry DOI: 10.7270/Q2PR7XKV
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 1.05E+4n/an/an/an/an/an/a



Hunan University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate preincubated for 25 mins by Ellman's/UV-vis spectroscopy analy...

Bioorg Med Chem Lett 24: 4749-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.087
BindingDB Entry DOI: 10.7270/Q2PR7XKV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50026061
PNG
(CHEMBL3335261)
Show SMILES COc1cc(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1CN1CCN(C)CC1
Show InChI InChI=1S/C23H28N2O4/c1-24-11-13-25(14-12-24)16-18-20(28-2)15-21(29-3)22(23(18)27)19(26)10-9-17-7-5-4-6-8-17/h4-10,15,27H,11-14,16H2,1-3H3/b10-9+
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n/an/a 1.24E+4n/an/an/an/an/an/a



Hunan University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate preincubated for 25 mins by Ellman's/UV-vis spectroscopy analy...

Bioorg Med Chem Lett 24: 4749-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.087
BindingDB Entry DOI: 10.7270/Q2PR7XKV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50026062
PNG
(CHEMBL3335256)
Show SMILES CCN(CC)Cc1c(OC)cc(OC)c(C(=O)\C=C\c2ccccc2)c1O
Show InChI InChI=1S/C22H27NO4/c1-5-23(6-2)15-17-19(26-3)14-20(27-4)21(22(17)25)18(24)13-12-16-10-8-7-9-11-16/h7-14,25H,5-6,15H2,1-4H3/b13-12+
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n/an/a 1.51E+4n/an/an/an/an/an/a



Hunan University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate preincubated for 25 mins by Ellman's/UV-vis spectroscopy analy...

Bioorg Med Chem Lett 24: 4749-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.087
BindingDB Entry DOI: 10.7270/Q2PR7XKV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50026064
PNG
(CHEMBL3335258)
Show SMILES COc1cc(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1CN1CCCC1
Show InChI InChI=1S/C22H25NO4/c1-26-19-14-20(27-2)21(18(24)11-10-16-8-4-3-5-9-16)22(25)17(19)15-23-12-6-7-13-23/h3-5,8-11,14,25H,6-7,12-13,15H2,1-2H3/b11-10+
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n/an/a 1.61E+4n/an/an/an/an/an/a



Hunan University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate preincubated for 25 mins by Ellman's/UV-vis spectroscopy analy...

Bioorg Med Chem Lett 24: 4749-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.087
BindingDB Entry DOI: 10.7270/Q2PR7XKV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50026065
PNG
(CHEMBL3335255)
Show SMILES COc1cc(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1CN(C)C
Show InChI InChI=1S/C20H23NO4/c1-21(2)13-15-17(24-3)12-18(25-4)19(20(15)23)16(22)11-10-14-8-6-5-7-9-14/h5-12,23H,13H2,1-4H3/b11-10+
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n/an/a 1.88E+4n/an/an/an/an/an/a



Hunan University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate preincubated for 25 mins by Ellman's/UV-vis spectroscopy analy...

Bioorg Med Chem Lett 24: 4749-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.087
BindingDB Entry DOI: 10.7270/Q2PR7XKV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50026063
PNG
(CHEMBL3335257)
Show SMILES CCCN(CCC)Cc1c(OC)cc(OC)c(C(=O)\C=C\c2ccccc2)c1O
Show InChI InChI=1S/C24H31NO4/c1-5-14-25(15-6-2)17-19-21(28-3)16-22(29-4)23(24(19)27)20(26)13-12-18-10-8-7-9-11-18/h7-13,16,27H,5-6,14-15,17H2,1-4H3/b13-12+
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n/an/a 5.48E+4n/an/an/an/an/an/a



Hunan University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate preincubated for 25 mins by Ellman's/UV-vis spectroscopy analy...

Bioorg Med Chem Lett 24: 4749-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.087
BindingDB Entry DOI: 10.7270/Q2PR7XKV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50026060
PNG
(CHEMBL3335260)
Show SMILES COc1cc(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1CN1CCOCC1
Show InChI InChI=1S/C22H25NO5/c1-26-19-14-20(27-2)21(18(24)9-8-16-6-4-3-5-7-16)22(25)17(19)15-23-10-12-28-13-11-23/h3-9,14,25H,10-13,15H2,1-2H3/b9-8+
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n/an/a 2.65E+5n/an/an/an/an/an/a



Hunan University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate preincubated for 25 mins by Ellman's/UV-vis spectroscopy analy...

Bioorg Med Chem Lett 24: 4749-53 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.087
BindingDB Entry DOI: 10.7270/Q2PR7XKV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%