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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with Target = 'Acetylcholine receptor protein epsilon chain'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetylcholine receptor protein epsilon chain


(Rattus norvegicus)		BDBM50524696
PNG
(CHEMBL4571835)
Show SMILES CCN(C)C(=O)Oc1cc(cc2cccnc12)C(C)N(C)C
Show InChI InChI=1S/C17H23N3O2/c1-6-20(5)17(21)22-15-11-14(12(2)19(3)4)10-13-8-7-9-18-16(13)15/h7-12H,6H2,1-5H3
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n/an/a 1.20n/an/an/an/an/an/a



Zhejiang Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometry

Eur J Med Chem 177: 247-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.051
More data for this
Ligand-Target Pair
Acetylcholine receptor protein epsilon chain


(Rattus norvegicus)		BDBM50524701
PNG
(CHEMBL4594074)
Show SMILES CC(N1CCOCC1)c1cc(OC(=O)N2CCOCC2)c2ncccc2c1
Show InChI InChI=1S/C20H25N3O4/c1-15(22-5-9-25-10-6-22)17-13-16-3-2-4-21-19(16)18(14-17)27-20(24)23-7-11-26-12-8-23/h2-4,13-15H,5-12H2,1H3
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n/an/a 8.30n/an/an/an/an/an/a



Zhejiang Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometry

Eur J Med Chem 177: 247-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.051
More data for this
Ligand-Target Pair
Acetylcholine receptor protein epsilon chain


(Rattus norvegicus)		BDBM50524708
PNG
(CHEMBL4459614)
Show SMILES CC(N(C)C)c1cc(OC(=O)N2CCOCC2)c2ncccc2c1
Show InChI InChI=1S/C18H23N3O3/c1-13(20(2)3)15-11-14-5-4-6-19-17(14)16(12-15)24-18(22)21-7-9-23-10-8-21/h4-6,11-13H,7-10H2,1-3H3
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n/an/a 8.80n/an/an/an/an/an/a



Zhejiang Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometry

Eur J Med Chem 177: 247-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.051
More data for this
Ligand-Target Pair
Acetylcholine receptor protein epsilon chain


(Rattus norvegicus)		BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C
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 9n/an/an/an/an/an/a



Zhejiang Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometry

Eur J Med Chem 177: 247-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.051
More data for this
Ligand-Target Pair
Acetylcholine receptor protein epsilon chain


(Rattus norvegicus)		BDBM50524697
PNG
(CHEMBL4470950)
Show SMILES CCN(CC)C(=O)Oc1cc(cc2cccnc12)C(C)N(C)C
Show InChI InChI=1S/C18H25N3O2/c1-6-21(7-2)18(22)23-16-12-15(13(3)20(4)5)11-14-9-8-10-19-17(14)16/h8-13H,6-7H2,1-5H3
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n/an/a 14n/an/an/an/an/an/a



Zhejiang Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometry

Eur J Med Chem 177: 247-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.051
More data for this
Ligand-Target Pair
Acetylcholine receptor protein epsilon chain


(Rattus norvegicus)		BDBM50524707
PNG
(CHEMBL4468053)
Show SMILES CC(N(C)C)c1cc(OC(=O)N(C)C)c2ncccc2c1
Show InChI InChI=1S/C16H21N3O2/c1-11(18(2)3)13-9-12-7-6-8-17-15(12)14(10-13)21-16(20)19(4)5/h6-11H,1-5H3
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n/an/a 16n/an/an/an/an/an/a



Zhejiang Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometry

Eur J Med Chem 177: 247-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.051
More data for this
Ligand-Target Pair
Acetylcholine receptor protein epsilon chain


(Rattus norvegicus)		BDBM50524705
PNG
(CHEMBL4452617)
Show SMILES CCN(C)C(=O)Oc1cc(cc2cccnc12)C(C)N1CCCC1
Show InChI InChI=1S/C19H25N3O2/c1-4-21(3)19(23)24-17-13-16(14(2)22-10-5-6-11-22)12-15-8-7-9-20-18(15)17/h7-9,12-14H,4-6,10-11H2,1-3H3
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n/an/a 18n/an/an/an/an/an/a



Zhejiang Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometry

Eur J Med Chem 177: 247-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.051
More data for this
Ligand-Target Pair
Acetylcholine receptor protein epsilon chain


(Rattus norvegicus)		BDBM50524698
PNG
(CHEMBL4452986)
Show SMILES CC(N(C)C)c1cc(OC(=O)N2CCCCC2)c2ncccc2c1
Show InChI InChI=1S/C19H25N3O2/c1-14(21(2)3)16-12-15-8-7-9-20-18(15)17(13-16)24-19(23)22-10-5-4-6-11-22/h7-9,12-14H,4-6,10-11H2,1-3H3
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n/an/a 21n/an/an/an/an/an/a



Zhejiang Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometry

Eur J Med Chem 177: 247-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.051
More data for this
Ligand-Target Pair
Acetylcholine receptor protein epsilon chain


(Rattus norvegicus)		BDBM50524706
PNG
(CHEMBL4566337)
Show SMILES CC(N(C)C)c1cc(OC(=O)N2CCCC2)c2ncccc2c1
Show InChI InChI=1S/C18H23N3O2/c1-13(20(2)3)15-11-14-7-6-8-19-17(14)16(12-15)23-18(22)21-9-4-5-10-21/h6-8,11-13H,4-5,9-10H2,1-3H3
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n/an/a 29n/an/an/an/an/an/a



Zhejiang Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometry

Eur J Med Chem 177: 247-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.051
More data for this
Ligand-Target Pair
Acetylcholine receptor protein epsilon chain


(Rattus norvegicus)		BDBM50524703
PNG
(CHEMBL4443818)
Show SMILES CCN(C)C(=O)Oc1cc(cc2cccnc12)C(C)N1CCCCC1
Show InChI InChI=1S/C20H27N3O2/c1-4-22(3)20(24)25-18-14-17(13-16-9-8-10-21-19(16)18)15(2)23-11-6-5-7-12-23/h8-10,13-15H,4-7,11-12H2,1-3H3
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n/an/a 29n/an/an/an/an/an/a



Zhejiang Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometry

Eur J Med Chem 177: 247-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.051
More data for this
Ligand-Target Pair
Acetylcholine receptor protein epsilon chain


(Rattus norvegicus)		BDBM50524709
PNG
(CHEMBL4471688)
Show SMILES CCN(C)C(C)c1cc(OC(=O)N(C)CC)c2ncccc2c1
Show InChI InChI=1S/C18H25N3O2/c1-6-20(4)13(3)15-11-14-9-8-10-19-17(14)16(12-15)23-18(22)21(5)7-2/h8-13H,6-7H2,1-5H3
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n/an/a 41n/an/an/an/an/an/a



Zhejiang Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometry

Eur J Med Chem 177: 247-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.051
More data for this
Ligand-Target Pair
Acetylcholine receptor protein epsilon chain


(Rattus norvegicus)		BDBM50524702
PNG
(CHEMBL4517494)
Show SMILES CCN(C)C(=O)Oc1cc(cc2cccnc12)C(C)N(CC)CC
Show InChI InChI=1S/C19H27N3O2/c1-6-21(5)19(23)24-17-13-16(14(4)22(7-2)8-3)12-15-10-9-11-20-18(15)17/h9-14H,6-8H2,1-5H3
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n/an/a 41n/an/an/an/an/an/a



Zhejiang Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometry

Eur J Med Chem 177: 247-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.051
More data for this
Ligand-Target Pair
Acetylcholine receptor protein epsilon chain


(Rattus norvegicus)		BDBM50524700
PNG
(CHEMBL4535921)
Show SMILES CC(N1CCOCC1)c1cc(OC(=O)N2CCCC2)c2ncccc2c1
Show InChI InChI=1S/C20H25N3O3/c1-15(22-9-11-25-12-10-22)17-13-16-5-4-6-21-19(16)18(14-17)26-20(24)23-7-2-3-8-23/h4-6,13-15H,2-3,7-12H2,1H3
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n/an/a 49n/an/an/an/an/an/a



Zhejiang Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometry

Eur J Med Chem 177: 247-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.051
More data for this
Ligand-Target Pair
Acetylcholine receptor protein epsilon chain


(Rattus norvegicus)		BDBM50524704
PNG
(CHEMBL4446271)
Show SMILES CCN(C)C(=O)Oc1cc(cc2cccnc12)C(C)N1CCN(C)CC1
Show InChI InChI=1S/C20H28N4O2/c1-5-23(4)20(25)26-18-14-17(13-16-7-6-8-21-19(16)18)15(2)24-11-9-22(3)10-12-24/h6-8,13-15H,5,9-12H2,1-4H3
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n/an/a 55n/an/an/an/an/an/a



Zhejiang Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometry

Eur J Med Chem 177: 247-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.051
More data for this
Ligand-Target Pair
Acetylcholine receptor protein epsilon chain


(Rattus norvegicus)		BDBM50524699
PNG
(CHEMBL4557064)
Show SMILES CC(N1CCOCC1)c1cc(OC(=O)N(C)C)c2ncccc2c1
Show InChI InChI=1S/C18H23N3O3/c1-13(21-7-9-23-10-8-21)15-11-14-5-4-6-19-17(14)16(12-15)24-18(22)20(2)3/h4-6,11-13H,7-10H2,1-3H3
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n/an/a 70n/an/an/an/an/an/a



Zhejiang Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat brain cortex AChE using acetylthiocholine iodide as substrate incubated for 15 mins by spectrophotometry

Eur J Med Chem 177: 247-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.051
More data for this
Ligand-Target Pair
Acetylcholine receptor protein epsilon chain


(Rattus norvegicus)		BDBM50448370
PNG
(CHEMBL3120178)
Show SMILES C[N+](C)(CCCCCCC[N+](C)(C)CC#CCOC1=NOCC1)CCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C33H46N4O4/c1-36(2,23-10-11-25-40-30-19-26-41-34-30)21-8-6-5-7-9-22-37(3,4)24-14-20-35-32(38)28-17-12-15-27-16-13-18-29(31(27)28)33(35)39/h12-13,15-18H,5-9,14,19-26H2,1-4H3/q+2
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n/an/a 7.94E+3n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase in rat brain homogenate after 15 mins by Ellman assay

Eur J Med Chem 75: 222-32 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.032
BindingDB Entry DOI: 10.7270/Q2K075RG
More data for this
Ligand-Target Pair
Acetylcholine receptor protein epsilon chain


(Rattus norvegicus)		BDBM50448375
PNG
(CHEMBL3121479)
Show SMILES C[N+](C)(CCCCCCCC[N+](C)(C)CC#CCOC1=NOCC1)CCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C34H48N4O4/c1-37(2,24-11-12-26-41-31-20-27-42-35-31)22-9-7-5-6-8-10-23-38(3,4)25-15-21-36-33(39)29-18-13-16-28-17-14-19-30(32(28)29)34(36)40/h13-14,16-19H,5-10,15,20-27H2,1-4H3/q+2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase in rat brain homogenate after 15 mins by Ellman assay

Eur J Med Chem 75: 222-32 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.032
BindingDB Entry DOI: 10.7270/Q2K075RG
More data for this
Ligand-Target Pair
Acetylcholine receptor protein epsilon chain


(Rattus norvegicus)		BDBM50448374
PNG
(CHEMBL3121478)
Show SMILES C[N+](C)(CCCCCC[N+](C)(C)CC#CCOC1=NOCC1)CCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C32H44N4O4/c1-35(2,22-9-10-24-39-29-18-25-40-33-29)20-7-5-6-8-21-36(3,4)23-13-19-34-31(37)27-16-11-14-26-15-12-17-28(30(26)27)32(34)38/h11-12,14-17H,5-8,13,18-25H2,1-4H3/q+2
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n/an/a 1.02E+4n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase in rat brain homogenate after 15 mins by Ellman assay

Eur J Med Chem 75: 222-32 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.032
BindingDB Entry DOI: 10.7270/Q2K075RG
More data for this
Ligand-Target Pair
Acetylcholine receptor protein epsilon chain


(Rattus norvegicus)		BDBM50448369
PNG
(CHEMBL3121476)
Show SMILES C[N+](C)(CCCCCCCC[N+](C)(C)CC#CCOC1=NOCC1)CCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C30H46N4O4/c1-33(2,22-13-14-24-37-28-18-25-38-31-28)20-11-7-5-6-8-12-21-34(3,4)23-15-19-32-29(35)26-16-9-10-17-27(26)30(32)36/h9-10,16-17H,5-8,11-12,15,18-25H2,1-4H3/q+2
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n/an/a 1.95E+4n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase in rat brain homogenate after 15 mins by Ellman assay

Eur J Med Chem 75: 222-32 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.032
BindingDB Entry DOI: 10.7270/Q2K075RG
More data for this
Ligand-Target Pair
Acetylcholine receptor protein epsilon chain


(Rattus norvegicus)		BDBM50448371
PNG
(CHEMBL3121480)
Show SMILES C[N+](C)(CCCCCC[N+]1(C)CCC(CC1)N1C(=O)c2cccc3cccc(C1=O)c23)CC#CCOC1=NOCC1
Show InChI InChI=1S/C33H44N4O4/c1-36(2,20-8-9-24-40-30-18-25-41-34-30)19-6-4-5-7-21-37(3)22-16-27(17-23-37)35-32(38)28-14-10-12-26-13-11-15-29(31(26)28)33(35)39/h10-15,27H,4-7,16-25H2,1-3H3/q+2
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n/an/a 2.29E+4n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase in rat brain homogenate after 15 mins by Ellman assay

Eur J Med Chem 75: 222-32 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.032
BindingDB Entry DOI: 10.7270/Q2K075RG
More data for this
Ligand-Target Pair
Acetylcholine receptor protein epsilon chain


(Rattus norvegicus)		BDBM50448372
PNG
(CHEMBL3121475)
Show SMILES C[N+](C)(CCCCCCC[N+](C)(C)CC#CCOC1=NOCC1)CCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C29H44N4O4/c1-32(2,21-12-13-23-36-27-17-24-37-30-27)19-10-6-5-7-11-20-33(3,4)22-14-18-31-28(34)25-15-8-9-16-26(25)29(31)35/h8-9,15-16H,5-7,10-11,14,17-24H2,1-4H3/q+2
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n/an/a 3.16E+4n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase in rat brain homogenate after 15 mins by Ellman assay

Eur J Med Chem 75: 222-32 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.032
BindingDB Entry DOI: 10.7270/Q2K075RG
More data for this
Ligand-Target Pair
Acetylcholine receptor protein epsilon chain


(Rattus norvegicus)		BDBM50448376
PNG
(NAPHMETHONIUM | Naphmethonium)
Show SMILES CC(C)(CN1C(=O)c2cccc3cccc(C1=O)c23)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C38H50N4O4/c1-38(2,26-40-36(45)31-20-13-16-28-17-14-21-32(33(28)31)37(40)46)27-42(5,6)24-12-8-7-11-23-41(3,4)25-15-22-39-34(43)29-18-9-10-19-30(29)35(39)44/h9-10,13-14,16-21H,7-8,11-12,15,22-27H2,1-6H3/q+2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.17E+4n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase in rat brain homogenate after 15 mins by Ellman assay

Eur J Med Chem 75: 222-32 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.032
BindingDB Entry DOI: 10.7270/Q2K075RG
More data for this
Ligand-Target Pair