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Compile Data Set for Download or QSAR

Found 7 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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 |t:18|
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
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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 |t:19|
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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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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 |t:17|
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
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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 |t:19|
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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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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 |t:40,(26.01,-22.81,;26.76,-24.15,;27.54,-22.83,;25.23,-24.16,;24.45,-22.84,;22.91,-22.84,;22.13,-21.52,;20.59,-21.53,;19.81,-20.19,;18.27,-20.2,;19.03,-18.86,;17.49,-18.87,;15.95,-18.88,;15.19,-20.22,;15.97,-21.55,;17.51,-21.54,;13.65,-20.23,;12.88,-18.89,;13.64,-17.57,;11.35,-18.91,;10.58,-17.58,;9.05,-17.57,;8.28,-18.91,;9.04,-20.25,;8.28,-21.58,;9.06,-22.91,;10.59,-22.9,;11.35,-21.57,;12.9,-21.56,;13.67,-22.88,;10.58,-20.24,;27.53,-25.5,;29.07,-25.51,;30.61,-25.5,;32.15,-25.5,;32.92,-26.83,;34.46,-26.82,;35.38,-28.05,;36.84,-27.57,;36.83,-26.03,;35.37,-25.56,)|
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
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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 |t:18|
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
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
KEGG

UniProtKB/SwissProt

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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