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PubMed code 28064079

Compile data set for download or QSAR
Found 5 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


(Homo sapiens (Human))
BDBM50235363
PNG
(CHEMBL4083174)
Show SMILES COc1cc(CCc2ccc(Nc3c4CCCCc4nc4cc(Cl)ccc34)cc2)cc(OC)c1
Show InChI InChI=1S/C29H29ClN2O2/c1-33-23-15-20(16-24(18-23)34-2)8-7-19-9-12-22(13-10-19)31-29-25-5-3-4-6-27(25)32-28-17-21(30)11-14-26(28)29/h9-18H,3-8H2,1-2H3,(H,31,32)
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Article
PubMed
n/an/a 800n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase isolated from human red blood cells using acetylthiocholine as substrate preincubated for 5 mins followed by subst...


Eur J Med Chem 127: 250-262 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.048
BindingDB Entry DOI: 10.7270/Q20P1289
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50235365
PNG
(CHEMBL4066309)
Show SMILES Oc1cc(O)cc(CCc2ccc(Nc3c4CCCCc4nc4cc(Cl)ccc34)cc2)c1
Show InChI InChI=1S/C27H25ClN2O2/c28-19-9-12-24-26(15-19)30-25-4-2-1-3-23(25)27(24)29-20-10-7-17(8-11-20)5-6-18-13-21(31)16-22(32)14-18/h7-16,31-32H,1-6H2,(H,29,30)
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Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase isolated from human red blood cells using acetylthiocholine as substrate preincubated for 5 mins followed by subst...


Eur J Med Chem 127: 250-262 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.048
BindingDB Entry DOI: 10.7270/Q20P1289
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50235364
PNG
(CHEMBL4081795)
Show SMILES Oc1cc(O)cc(\C=C\c2ccc(Nc3c4CCCCc4nc4cc(Cl)ccc34)cc2)c1
Show InChI InChI=1S/C27H23ClN2O2/c28-19-9-12-24-26(15-19)30-25-4-2-1-3-23(25)27(24)29-20-10-7-17(8-11-20)5-6-18-13-21(31)16-22(32)14-18/h5-16,31-32H,1-4H2,(H,29,30)/b6-5+
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Article
PubMed
n/an/a 8.80E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase isolated from human red blood cells using acetylthiocholine as substrate preincubated for 5 mins followed by subst...


Eur J Med Chem 127: 250-262 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.048
BindingDB Entry DOI: 10.7270/Q20P1289
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50235366
PNG
(CHEMBL4093419)
Show SMILES COc1cc(CCc2ccc(Nc3c4CCCCc4nc4ccccc34)cc2)cc(OC)c1
Show InChI InChI=1S/C29H30N2O2/c1-32-23-17-21(18-24(19-23)33-2)12-11-20-13-15-22(16-14-20)30-29-25-7-3-5-9-27(25)31-28-10-6-4-8-26(28)29/h3,5,7,9,13-19H,4,6,8,10-12H2,1-2H3,(H,30,31)
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Article
PubMed
n/an/a 1.42E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase isolated from human red blood cells using acetylthiocholine as substrate preincubated for 5 mins followed by subst...


Eur J Med Chem 127: 250-262 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.048
BindingDB Entry DOI: 10.7270/Q20P1289
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50235363
PNG
(CHEMBL4083174)
Show SMILES COc1cc(CCc2ccc(Nc3c4CCCCc4nc4cc(Cl)ccc34)cc2)cc(OC)c1
Show InChI InChI=1S/C29H29ClN2O2/c1-33-23-15-20(16-24(18-23)34-2)8-7-19-9-12-22(13-10-19)31-29-25-5-3-4-6-27(25)32-28-17-21(30)11-14-26(28)29/h9-18H,3-8H2,1-2H3,(H,31,32)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 7.31E+3n/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of propidium iodide from electric eel AChE by spectrofluorometric method


Eur J Med Chem 127: 250-262 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.048
BindingDB Entry DOI: 10.7270/Q20P1289
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%