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PubMed code 26510670

Compile data set for download or QSAR
Found 9 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


(Electrophorus electricus (Electric eel))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Lehigh University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholineiodide as substrate measured at 30 secs intervals over 9 mins by E...


Bioorg Med Chem Lett 25: 5609-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.039
BindingDB Entry DOI: 10.7270/Q2NZ89FR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50133608
PNG
(CHEMBL3633470)
Show SMILES CC(C)(C)CCOC(=O)Nc1ccccc1C#C
Show InChI InChI=1S/C15H19NO2/c1-5-12-8-6-7-9-13(12)16-14(17)18-11-10-15(2,3)4/h1,6-9H,10-11H2,2-4H3,(H,16,17)
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PubMed
n/an/a 2.84E+4n/an/an/an/an/an/a



Lehigh University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholineiodide as substrate measured at 30 secs intervals over 9 mins by E...


Bioorg Med Chem Lett 25: 5609-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.039
BindingDB Entry DOI: 10.7270/Q2NZ89FR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50133607
PNG
(CHEMBL3633471)
Show SMILES CC(C)(C)CCOC(=O)Nc1ccc(cc1)C#C
Show InChI InChI=1S/C15H19NO2/c1-5-12-6-8-13(9-7-12)16-14(17)18-11-10-15(2,3)4/h1,6-9H,10-11H2,2-4H3,(H,16,17)
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PubMed
n/an/a 3.43E+4n/an/an/an/an/an/a



Lehigh University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholineiodide as substrate measured at 30 secs intervals over 9 mins by E...


Bioorg Med Chem Lett 25: 5609-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.039
BindingDB Entry DOI: 10.7270/Q2NZ89FR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50133605
PNG
(CHEMBL3633473)
Show SMILES C[Si](C)(C)CCOC(=O)Nc1ccc(cc1)C#C
Show InChI InChI=1S/C14H19NO2Si/c1-5-12-6-8-13(9-7-12)15-14(16)17-10-11-18(2,3)4/h1,6-9H,10-11H2,2-4H3,(H,15,16)
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PubMed
n/an/a 3.44E+4n/an/an/an/an/an/a



Lehigh University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholineiodide as substrate measured at 30 secs intervals over 9 mins by E...


Bioorg Med Chem Lett 25: 5609-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.039
BindingDB Entry DOI: 10.7270/Q2NZ89FR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50133606
PNG
(CHEMBL3633472)
Show SMILES C[Si](C)(C)CCOC(=O)Nc1ccccc1C#C
Show InChI InChI=1S/C14H19NO2Si/c1-5-12-8-6-7-9-13(12)15-14(16)17-10-11-18(2,3)4/h1,6-9H,10-11H2,2-4H3,(H,15,16)
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Article
PubMed
n/an/a 3.81E+4n/an/an/an/an/an/a



Lehigh University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholineiodide as substrate measured at 30 secs intervals over 9 mins by E...


Bioorg Med Chem Lett 25: 5609-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.039
BindingDB Entry DOI: 10.7270/Q2NZ89FR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50133611
PNG
(CHEMBL3633467)
Show SMILES CC(C)(C)CCOC(=O)Oc1ccc(cc1)C#C
Show InChI InChI=1S/C15H18O3/c1-5-12-6-8-13(9-7-12)18-14(16)17-11-10-15(2,3)4/h1,6-9H,10-11H2,2-4H3
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Article
PubMed
n/an/a 5.90E+4n/an/an/an/an/an/a



Lehigh University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholineiodide as substrate measured at 30 secs intervals over 9 mins by E...


Bioorg Med Chem Lett 25: 5609-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.039
BindingDB Entry DOI: 10.7270/Q2NZ89FR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50133609
PNG
(CHEMBL3633469)
Show SMILES C[Si](C)(C)CCOC(=O)Oc1ccc(cc1)C#C
Show InChI InChI=1S/C14H18O3Si/c1-5-12-6-8-13(9-7-12)17-14(15)16-10-11-18(2,3)4/h1,6-9H,10-11H2,2-4H3
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Article
PubMed
n/an/a 6.20E+4n/an/an/an/an/an/a



Lehigh University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholineiodide as substrate measured at 30 secs intervals over 9 mins by E...


Bioorg Med Chem Lett 25: 5609-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.039
BindingDB Entry DOI: 10.7270/Q2NZ89FR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50133610
PNG
(CHEMBL3633468)
Show SMILES C[Si](C)(C)CCOC(=O)Oc1ccccc1C#C
Show InChI InChI=1S/C14H18O3Si/c1-5-12-8-6-7-9-13(12)17-14(15)16-10-11-18(2,3)4/h1,6-9H,10-11H2,2-4H3
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Article
PubMed
n/an/a 8.00E+4n/an/an/an/an/an/a



Lehigh University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholineiodide as substrate measured at 30 secs intervals over 9 mins by E...


Bioorg Med Chem Lett 25: 5609-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.039
BindingDB Entry DOI: 10.7270/Q2NZ89FR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50133612
PNG
(CHEMBL3633466)
Show SMILES CC(C)(C)CCOC(=O)Oc1ccccc1C#C
Show InChI InChI=1S/C15H18O3/c1-5-12-8-6-7-9-13(12)18-14(16)17-11-10-15(2,3)4/h1,6-9H,10-11H2,2-4H3
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Article
PubMed
n/an/a 8.60E+4n/an/an/an/an/an/a



Lehigh University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholineiodide as substrate measured at 30 secs intervals over 9 mins by E...


Bioorg Med Chem Lett 25: 5609-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.039
BindingDB Entry DOI: 10.7270/Q2NZ89FR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%