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Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50044982   
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


(Mus musculus (mouse))		BDBM50040212
PNG
(CHEMBL3359473)
Show SMILES Cl.COc1ccc(\C=C2/Oc3cc(OCCN4CCCCC4)ccc3C2=O)cc1OC
Show InChI InChI=1S/C24H27NO5.ClH/c1-27-20-9-6-17(14-22(20)28-2)15-23-24(26)19-8-7-18(16-21(19)30-23)29-13-12-25-10-4-3-5-11-25;/h6-9,14-16H,3-5,10-13H2,1-2H3;1H/b23-15-;
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n/an/a 400n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040200
PNG
(CHEMBL3359485)
Show SMILES Cl.COc1cccc(\C=C2/Oc3cc(OCCCN4CCCCC4)ccc3C2=O)c1
Show InChI InChI=1S/C24H27NO4.ClH/c1-27-19-8-5-7-18(15-19)16-23-24(26)21-10-9-20(17-22(21)29-23)28-14-6-13-25-11-3-2-4-12-25;/h5,7-10,15-17H,2-4,6,11-14H2,1H3;1H/b23-16-;
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n/an/a 750n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040204
PNG
(CHEMBL3359481)
Show SMILES Cl.COc1ccc(\C=C2/Oc3cc(OCCN4CCCC4)ccc3C2=O)cc1OC
Show InChI InChI=1S/C23H25NO5.ClH/c1-26-19-8-5-16(13-21(19)27-2)14-22-23(25)18-7-6-17(15-20(18)29-22)28-12-11-24-9-3-4-10-24;/h5-8,13-15H,3-4,9-12H2,1-2H3;1H/b22-14-;
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n/an/a 750n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040107
PNG
(CHEMBL3359496)
Show SMILES Cl.COc1ccc(\C=C2/Oc3cc(OCCCN4CCCCC4)ccc3C2=O)cc1OC
Show InChI InChI=1S/C25H29NO5.ClH/c1-28-21-10-7-18(15-23(21)29-2)16-24-25(27)20-9-8-19(17-22(20)31-24)30-14-6-13-26-11-4-3-5-12-26;/h7-10,15-17H,3-6,11-14H2,1-2H3;1H/b24-16-;
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n/an/a 890n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040213
PNG
(CHEMBL3359472)
Show SMILES Cl.COc1ccc(\C=C2/Oc3cc(OCCN4CCCCC4)ccc3C2=O)cc1
Show InChI InChI=1S/C23H25NO4.ClH/c1-26-18-7-5-17(6-8-18)15-22-23(25)20-10-9-19(16-21(20)28-22)27-14-13-24-11-3-2-4-12-24;/h5-10,15-16H,2-4,11-14H2,1H3;1H/b22-15-;
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n/an/a 900n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040207
PNG
(CHEMBL3359478)
Show SMILES Cl.COc1cccc(\C=C2/Oc3cc(OCCN4CCCC4)ccc3C2=O)c1OC
Show InChI InChI=1S/C23H25NO5.ClH/c1-26-19-7-5-6-16(23(19)27-2)14-21-22(25)18-9-8-17(15-20(18)29-21)28-13-12-24-10-3-4-11-24;/h5-9,14-15H,3-4,10-13H2,1-2H3;1H/b21-14-;
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n/an/a 990n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040160
PNG
(CHEMBL3359492)
Show SMILES Cl.COc1ccc(\C=C2/Oc3cc(OCCCN4CCCC4)ccc3C2=O)cc1OC
Show InChI InChI=1S/C24H27NO5.ClH/c1-27-20-9-6-17(14-22(20)28-2)15-23-24(26)19-8-7-18(16-21(19)30-23)29-13-5-12-25-10-3-4-11-25;/h6-9,14-16H,3-5,10-13H2,1-2H3;1H/b23-15-;
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n/an/a 1.03E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040164
PNG
(CHEMBL3359489)
Show SMILES Cl.COc1cccc(\C=C2/Oc3cc(OCCCN4CCCC4)ccc3C2=O)c1OC
Show InChI InChI=1S/C24H27NO5.ClH/c1-27-20-8-5-7-17(24(20)28-2)15-22-23(26)19-10-9-18(16-21(19)30-22)29-14-6-13-25-11-3-4-12-25;/h5,7-10,15-16H,3-4,6,11-14H2,1-2H3;1H/b22-15-;
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n/an/a 1.05E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040211
PNG
(CHEMBL3359474)
Show SMILES Cl.COc1cc(\C=C2/Oc3cc(OCCN4CCCCC4)ccc3C2=O)cc(OC)c1OC
Show InChI InChI=1S/C25H29NO6.ClH/c1-28-22-14-17(15-23(29-2)25(22)30-3)13-21-24(27)19-8-7-18(16-20(19)32-21)31-12-11-26-9-5-4-6-10-26;/h7-8,13-16H,4-6,9-12H2,1-3H3;1H/b21-13-;
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n/an/a 1.12E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040214
PNG
(CHEMBL3359471)
Show SMILES Cl.COc1cccc(\C=C2/Oc3cc(OCCN4CCCCC4)ccc3C2=O)c1
Show InChI InChI=1S/C23H25NO4.ClH/c1-26-18-7-5-6-17(14-18)15-22-23(25)20-9-8-19(16-21(20)28-22)27-13-12-24-10-3-2-4-11-24;/h5-9,14-16H,2-4,10-13H2,1H3;1H/b22-15-;
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n/an/a 1.15E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040118
PNG
(CHEMBL3359495)
Show SMILES Cl.COc1ccc(\C=C2/Oc3cc(OCCCCCN4CCCCC4)ccc3C2=O)cc1OC
Show InChI InChI=1S/C27H33NO5.ClH/c1-30-23-12-9-20(17-25(23)31-2)18-26-27(29)22-11-10-21(19-24(22)33-26)32-16-8-4-7-15-28-13-5-3-6-14-28;/h9-12,17-19H,3-8,13-16H2,1-2H3;1H/b26-18-;
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n/an/a 1.26E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040205
PNG
(CHEMBL3359480)
Show SMILES Cl.COc1ccc(OC)c(\C=C2/Oc3cc(OCCN4CCCC4)ccc3C2=O)c1
Show InChI InChI=1S/C23H25NO5.ClH/c1-26-17-6-8-20(27-2)16(13-17)14-22-23(25)19-7-5-18(15-21(19)29-22)28-12-11-24-9-3-4-10-24;/h5-8,13-15H,3-4,9-12H2,1-2H3;1H/b22-14-;
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n/an/a 1.49E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040122
PNG
(CHEMBL3359494)
Show SMILES Cl.COc1ccc(\C=C2/Oc3cc(OCCCCN4CCCCC4)ccc3C2=O)cc1OC
Show InChI InChI=1S/C26H31NO5.ClH/c1-29-22-11-8-19(16-24(22)30-2)17-25-26(28)21-10-9-20(18-23(21)32-25)31-15-7-6-14-27-12-4-3-5-13-27;/h8-11,16-18H,3-7,12-15H2,1-2H3;1H/b25-17-;
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n/an/a 1.52E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040201
PNG
(CHEMBL3359484)
Show SMILES Cl.COc1cc(\C=C2/Oc3cc(OCCN4CCCC4)ccc3C2=O)cc(OC)c1OC
Show InChI InChI=1S/C24H27NO6.ClH/c1-27-21-13-16(14-22(28-2)24(21)29-3)12-20-23(26)18-7-6-17(15-19(18)31-20)30-11-10-25-8-4-5-9-25;/h6-7,12-15H,4-5,8-11H2,1-3H3;1H/b20-12-;
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n/an/a 1.56E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040209
PNG
(CHEMBL3359476)
Show SMILES Cl.COc1cccc(\C=C2/Oc3cc(OCCN4CCCC4)ccc3C2=O)c1
Show InChI InChI=1S/C22H23NO4.ClH/c1-25-17-6-4-5-16(13-17)14-21-22(24)19-8-7-18(15-20(19)27-21)26-12-11-23-9-2-3-10-23;/h4-8,13-15H,2-3,9-12H2,1H3;1H/b21-14-;
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n/an/a 1.61E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040206
PNG
(CHEMBL3359479)
Show SMILES Cl.COc1ccc(\C=C2/Oc3cc(OCCN4CCCC4)ccc3C2=O)c(OC)c1
Show InChI InChI=1S/C23H25NO5.ClH/c1-26-17-6-5-16(20(14-17)27-2)13-22-23(25)19-8-7-18(15-21(19)29-22)28-12-11-24-9-3-4-10-24;/h5-8,13-15H,3-4,9-12H2,1-2H3;1H/b22-13-;
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n/an/a 1.61E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040163
PNG
(CHEMBL3359490)
Show SMILES Cl.COc1ccc(\C=C2/Oc3cc(OCCCN4CCCC4)ccc3C2=O)c(OC)c1
Show InChI InChI=1S/C24H27NO5.ClH/c1-27-18-7-6-17(21(15-18)28-2)14-23-24(26)20-9-8-19(16-22(20)30-23)29-13-5-12-25-10-3-4-11-25;/h6-9,14-16H,3-5,10-13H2,1-2H3;1H/b23-14-;
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n/an/a 1.66E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 2.08E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040208
PNG
(CHEMBL3359477)
Show SMILES Cl.COc1ccc(\C=C2/Oc3cc(OCCN4CCCC4)ccc3C2=O)cc1
Show InChI InChI=1S/C22H23NO4.ClH/c1-25-17-6-4-16(5-7-17)14-21-22(24)19-9-8-18(15-20(19)27-21)26-13-12-23-10-2-3-11-23;/h4-9,14-15H,2-3,10-13H2,1H3;1H/b21-14-;
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n/an/a 2.38E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040215
PNG
(CHEMBL3359470)
Show SMILES Cl.COc1ccccc1\C=C1/Oc2cc(OCCN3CCCCC3)ccc2C1=O
Show InChI InChI=1S/C23H25NO4.ClH/c1-26-20-8-4-3-7-17(20)15-22-23(25)19-10-9-18(16-21(19)28-22)27-14-13-24-11-5-2-6-12-24;/h3-4,7-10,15-16H,2,5-6,11-14H2,1H3;1H/b22-15-;
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n/an/a 2.52E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040210
PNG
(CHEMBL3359475)
Show SMILES Cl.COc1ccccc1\C=C1/Oc2cc(OCCN3CCCC3)ccc2C1=O
Show InChI InChI=1S/C22H23NO4.ClH/c1-25-19-7-3-2-6-16(19)14-21-22(24)18-9-8-17(15-20(18)27-21)26-13-12-23-10-4-5-11-23;/h2-3,6-9,14-15H,4-5,10-13H2,1H3;1H/b21-14-;
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n/an/a 2.87E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040172
PNG
(CHEMBL3359488)
Show SMILES Cl.COc1ccc(\C=C2/Oc3cc(OCCCN4CCCC4)ccc3C2=O)cc1
Show InChI InChI=1S/C23H25NO4.ClH/c1-26-18-7-5-17(6-8-18)15-22-23(25)20-10-9-19(16-21(20)28-22)27-14-4-13-24-11-2-3-12-24;/h5-10,15-16H,2-4,11-14H2,1H3;1H/b22-15-;
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n/an/a 3.31E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040180
PNG
(CHEMBL3359487)
Show SMILES Cl.COc1cccc(\C=C2/Oc3cc(OCCCN4CCCC4)ccc3C2=O)c1
Show InChI InChI=1S/C23H25NO4.ClH/c1-26-18-7-4-6-17(14-18)15-22-23(25)20-9-8-19(16-21(20)28-22)27-13-5-12-24-10-2-3-11-24;/h4,6-9,14-16H,2-3,5,10-13H2,1H3;1H/b22-15-;
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n/an/a 4.20E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040157
PNG
(CHEMBL3359493)
Show SMILES Cl.COc1cc(OC)cc(\C=C2/Oc3cc(OCCCN4CCCC4)ccc3C2=O)c1
Show InChI InChI=1S/C24H27NO5/c1-27-19-12-17(13-20(15-19)28-2)14-23-24(26)21-7-6-18(16-22(21)30-23)29-11-5-10-25-8-3-4-9-25/h6-7,12-16H,3-5,8-11H2,1-2H3/b23-14-
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n/an/a 4.63E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040162
PNG
(CHEMBL3359491)
Show SMILES Cl.COc1ccc(OC)c(\C=C2/Oc3cc(OCCCN4CCCC4)ccc3C2=O)c1
Show InChI InChI=1S/C24H27NO5.ClH/c1-27-18-7-9-21(28-2)17(14-18)15-23-24(26)20-8-6-19(16-22(20)30-23)29-13-5-12-25-10-3-4-11-25;/h6-9,14-16H,3-5,10-13H2,1-2H3;1H/b23-15-;
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n/an/a 4.74E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040203
PNG
(CHEMBL3359482)
Show SMILES Cl.COc1cc(OC)cc(\C=C2/Oc3cc(OCCN4CCCC4)ccc3C2=O)c1
Show InChI InChI=1S/C23H25NO5.ClH/c1-26-18-11-16(12-19(14-18)27-2)13-22-23(25)20-6-5-17(15-21(20)29-22)28-10-9-24-7-3-4-8-24;/h5-6,11-15H,3-4,7-10H2,1-2H3;1H/b22-13-;
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n/an/a 4.81E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040186
PNG
(CHEMBL3359486)
Show SMILES Cl.COc1ccccc1\C=C1/Oc2cc(OCCCN3CCCC3)ccc2C1=O
Show InChI InChI=1S/C23H25NO4.ClH/c1-26-20-8-3-2-7-17(20)15-22-23(25)19-10-9-18(16-21(19)28-22)27-14-6-13-24-11-4-5-12-24;/h2-3,7-10,15-16H,4-6,11-14H2,1H3;1H/b22-15-;
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n/an/a 5.93E+3n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040218
PNG
(CHEMBL3359467)
Show SMILES Cl.Oc1ccc(\C=C2/Oc3cc(OCCN4CCCC4)ccc3C2=O)cc1
Show InChI InChI=1S/C21H21NO4.ClH/c23-16-5-3-15(4-6-16)13-20-21(24)18-8-7-17(14-19(18)26-20)25-12-11-22-9-1-2-10-22;/h3-8,13-14,23H,1-2,9-12H2;1H/b20-13-;
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n/an/a 1.11E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040219
PNG
(CHEMBL3359466)
Show SMILES Cl.Oc1ccc(\C=C2/Oc3cc(OCCN4CCCCC4)ccc3C2=O)cc1
Show InChI InChI=1S/C22H23NO4.ClH/c24-17-6-4-16(5-7-17)14-21-22(25)19-9-8-18(15-20(19)27-21)26-13-12-23-10-2-1-3-11-23;/h4-9,14-15,24H,1-3,10-13H2;1H/b21-14-;
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n/an/a 1.35E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040202
PNG
(CHEMBL3359483)
Show SMILES Cl.COc1ccc(\C=C2/Oc3cc(OCCN4CCCC4)ccc3C2=O)c(OC)c1OC
Show InChI InChI=1S/C24H27NO6.ClH/c1-27-19-9-6-16(23(28-2)24(19)29-3)14-21-22(26)18-8-7-17(15-20(18)31-21)30-13-12-25-10-4-5-11-25;/h6-9,14-15H,4-5,10-13H2,1-3H3;1H/b21-14-;
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n/an/a 1.37E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040217
PNG
(CHEMBL3359468)
Show SMILES Cl.CCN(CC)CCOc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)cc1
Show InChI InChI=1S/C21H23NO4.ClH/c1-3-22(4-2)11-12-25-17-9-10-18-19(14-17)26-20(21(18)24)13-15-5-7-16(23)8-6-15;/h5-10,13-14,23H,3-4,11-12H2,1-2H3;1H/b20-13-;
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n/an/a 3.55E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50040216
PNG
(CHEMBL3359469)
Show SMILES Cl.Oc1ccc(\C=C2/Oc3cc(OCCN4CCOCC4)ccc3C2=O)cc1
Show InChI InChI=1S/C21H21NO5.ClH/c23-16-3-1-15(2-4-16)13-20-21(24)18-6-5-17(14-19(18)27-20)26-12-9-22-7-10-25-11-8-22;/h1-6,13-14,23H,7-12H2;1H/b20-13-;
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n/an/a 1.86E+5n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))		BDBM50580
PNG
((2Z)-2-(3,4-dihydroxybenzylidene)-6-hydroxy-coumar...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6-
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n/an/a 6.99E+5n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...

Bioorg Med Chem 23: 231-40 (2014)


Article DOI: 10.1016/j.bmc.2014.11.004
BindingDB Entry DOI: 10.7270/Q2V126FS
More data for this
Ligand-Target Pair