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PubMed code 28189905

Compile data set for download or QSAR
Found 35 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))		BDBM50235419
PNG
(CHEMBL4077932)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1cccc(Br)c1)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H25BrN2O3/c1-2-32-27(31)23-21(17-11-8-12-18(28)15-17)22-24(29)19-13-6-7-14-20(19)30-26(22)33-25(23)16-9-4-3-5-10-16/h3-5,8-12,15,21H,2,6-7,13-14H2,1H3,(H2,29,30)
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 49n/an/an/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel AChE preincubated for 5 mins followed by varying levels acetylthiocholine iodide substrate addition by Lineweav...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		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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n/an/a 14n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of human BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min by E...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50235419
PNG
(CHEMBL4077932)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1cccc(Br)c1)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H25BrN2O3/c1-2-32-27(31)23-21(17-11-8-12-18(28)15-17)22-24(29)19-13-6-7-14-20(19)30-26(22)33-25(23)16-9-4-3-5-10-16/h3-5,8-12,15,21H,2,6-7,13-14H2,1H3,(H2,29,30)
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n/an/a 69n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50235422
PNG
(CHEMBL4079694)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1ccccc1Br)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H25BrN2O3/c1-2-32-27(31)23-21(17-12-6-8-14-19(17)28)22-24(29)18-13-7-9-15-20(18)30-26(22)33-25(23)16-10-4-3-5-11-16/h3-6,8,10-12,14,21H,2,7,9,13,15H2,1H3,(H2,29,30)
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n/an/a 118n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50235417
PNG
(CHEMBL4103948)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1ccccc1Cl)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H25ClN2O3/c1-2-32-27(31)23-21(17-12-6-8-14-19(17)28)22-24(29)18-13-7-9-15-20(18)30-26(22)33-25(23)16-10-4-3-5-11-16/h3-6,8,10-12,14,21H,2,7,9,13,15H2,1H3,(H2,29,30)
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n/an/a 153n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of human Protein kinase C beta 2

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50235414
PNG
(CHEMBL4095975)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1cccc(Cl)c1)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H25ClN2O3/c1-2-32-27(31)23-21(17-11-8-12-18(28)15-17)22-24(29)19-13-6-7-14-20(19)30-26(22)33-25(23)16-9-4-3-5-10-16/h3-5,8-12,15,21H,2,6-7,13-14H2,1H3,(H2,29,30)
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n/an/a 228n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
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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n/an/a 356n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50235418
PNG
(CHEMBL4103021)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1ccccc1F)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H25FN2O3/c1-2-32-27(31)23-21(17-12-6-8-14-19(17)28)22-24(29)18-13-7-9-15-20(18)30-26(22)33-25(23)16-10-4-3-5-11-16/h3-6,8,10-12,14,21H,2,7,9,13,15H2,1H3,(H2,29,30)
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n/an/a 370n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50235408
PNG
(CHEMBL4080395)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1ccc(F)cc1)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H25FN2O3/c1-2-32-27(31)23-21(16-12-14-18(28)15-13-16)22-24(29)19-10-6-7-11-20(19)30-26(22)33-25(23)17-8-4-3-5-9-17/h3-5,8-9,12-15,21H,2,6-7,10-11H2,1H3,(H2,29,30)
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n/an/a 404n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50235410
PNG
(CHEMBL4089184)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1ccccc1)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H26N2O3/c1-2-31-27(30)23-21(17-11-5-3-6-12-17)22-24(28)19-15-9-10-16-20(19)29-26(22)32-25(23)18-13-7-4-8-14-18/h3-8,11-14,21H,2,9-10,15-16H2,1H3,(H2,28,29)
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n/an/a 423n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50235420
PNG
(CHEMBL4096891)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1ccc(OC)cc1)c1ccccc1 |t:5|
Show InChI InChI=1S/C28H28N2O4/c1-3-33-28(31)24-22(17-13-15-19(32-2)16-14-17)23-25(29)20-11-7-8-12-21(20)30-27(23)34-26(24)18-9-5-4-6-10-18/h4-6,9-10,13-16,22H,3,7-8,11-12H2,1-2H3,(H2,29,30)
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n/an/a 480n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50235416
PNG
(CHEMBL4088245)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1cccc(OC)c1)c1ccccc1 |t:5|
Show InChI InChI=1S/C28H28N2O4/c1-3-33-28(31)24-22(18-12-9-13-19(16-18)32-2)23-25(29)20-14-7-8-15-21(20)30-27(23)34-26(24)17-10-5-4-6-11-17/h4-6,9-13,16,22H,3,7-8,14-15H2,1-2H3,(H2,29,30)
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n/an/a 510n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50235412
PNG
(CHEMBL4066967)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H25N3O5/c1-2-34-27(31)23-21(16-12-14-18(15-13-16)30(32)33)22-24(28)19-10-6-7-11-20(19)29-26(22)35-25(23)17-8-4-3-5-9-17/h3-5,8-9,12-15,21H,2,6-7,10-11H2,1H3,(H2,28,29)
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n/an/a 583n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50235413
PNG
(CHEMBL4087572)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1cccc(F)c1)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H25FN2O3/c1-2-32-27(31)23-21(17-11-8-12-18(28)15-17)22-24(29)19-13-6-7-14-20(19)30-26(22)33-25(23)16-9-4-3-5-10-16/h3-5,8-12,15,21H,2,6-7,13-14H2,1H3,(H2,29,30)
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n/an/a 778n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50235409
PNG
(CHEMBL4104619)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1ccc(Cl)cc1)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H25ClN2O3/c1-2-32-27(31)23-21(16-12-14-18(28)15-13-16)22-24(29)19-10-6-7-11-20(19)30-26(22)33-25(23)17-8-4-3-5-9-17/h3-5,8-9,12-15,21H,2,6-7,10-11H2,1H3,(H2,29,30)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50235419
PNG
(CHEMBL4077932)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1cccc(Br)c1)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H25BrN2O3/c1-2-32-27(31)23-21(17-11-8-12-18(28)15-17)22-24(29)19-13-6-7-14-20(19)30-26(22)33-25(23)16-9-4-3-5-10-16/h3-5,8-12,15,21H,2,6-7,13-14H2,1H3,(H2,29,30)
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n/an/a 1.35E+3n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of human BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min by E...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50235411
PNG
(CHEMBL4085074)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1ccc(Cl)cc1Cl)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H24Cl2N2O3/c1-2-33-27(32)23-21(17-13-12-16(28)14-19(17)29)22-24(30)18-10-6-7-11-20(18)31-26(22)34-25(23)15-8-4-3-5-9-15/h3-5,8-9,12-14,21H,2,6-7,10-11H2,1H3,(H2,30,31)
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n/an/a 1.62E+3n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50235417
PNG
(CHEMBL4103948)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1ccccc1Cl)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H25ClN2O3/c1-2-32-27(31)23-21(17-12-6-8-14-19(17)28)22-24(29)18-13-7-9-15-20(18)30-26(22)33-25(23)16-10-4-3-5-11-16/h3-6,8,10-12,14,21H,2,7,9,13,15H2,1H3,(H2,29,30)
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n/an/a 2.14E+3n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of human BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min by E...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50235423
PNG
(CHEMBL4066209)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1cccc(c1)[N+]([O-])=O)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H25N3O5/c1-2-34-27(31)23-21(17-11-8-12-18(15-17)30(32)33)22-24(28)19-13-6-7-14-20(19)29-26(22)35-25(23)16-9-4-3-5-10-16/h3-5,8-12,15,21H,2,6-7,13-14H2,1H3,(H2,28,29)
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n/an/a 2.73E+3n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50235422
PNG
(CHEMBL4079694)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1ccccc1Br)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H25BrN2O3/c1-2-32-27(31)23-21(17-12-6-8-14-19(17)28)22-24(29)18-13-7-9-15-20(18)30-26(22)33-25(23)16-10-4-3-5-11-16/h3-6,8,10-12,14,21H,2,7,9,13,15H2,1H3,(H2,29,30)
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n/an/a 2.76E+3n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of human BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min by E...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50235414
PNG
(CHEMBL4095975)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1cccc(Cl)c1)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H25ClN2O3/c1-2-32-27(31)23-21(17-11-8-12-18(28)15-17)22-24(29)19-13-6-7-14-20(19)30-26(22)33-25(23)16-9-4-3-5-10-16/h3-5,8-12,15,21H,2,6-7,13-14H2,1H3,(H2,29,30)
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of human BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min by E...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50235418
PNG
(CHEMBL4103021)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1ccccc1F)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H25FN2O3/c1-2-32-27(31)23-21(17-12-6-8-14-19(17)28)22-24(29)18-13-7-9-15-20(18)30-26(22)33-25(23)16-10-4-3-5-11-16/h3-6,8,10-12,14,21H,2,7,9,13,15H2,1H3,(H2,29,30)
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n/an/a 3.63E+3n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of human BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min by E...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50235415
PNG
(CHEMBL4061007)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1ccc(C)cc1)c1ccccc1 |t:5|
Show InChI InChI=1S/C28H28N2O3/c1-3-32-28(31)24-22(18-15-13-17(2)14-16-18)23-25(29)20-11-7-8-12-21(20)30-27(23)33-26(24)19-9-5-4-6-10-19/h4-6,9-10,13-16,22H,3,7-8,11-12H2,1-2H3,(H2,29,30)
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n/an/a 4.16E+3n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50235410
PNG
(CHEMBL4089184)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1ccccc1)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H26N2O3/c1-2-31-27(30)23-21(17-11-5-3-6-12-17)22-24(28)19-15-9-10-16-20(19)29-26(22)32-25(23)18-13-7-4-8-14-18/h3-8,11-14,21H,2,9-10,15-16H2,1H3,(H2,28,29)
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n/an/a 5.49E+3n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of human BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min by E...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50235420
PNG
(CHEMBL4096891)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1ccc(OC)cc1)c1ccccc1 |t:5|
Show InChI InChI=1S/C28H28N2O4/c1-3-33-28(31)24-22(17-13-15-19(32-2)16-14-17)23-25(29)20-11-7-8-12-21(20)30-27(23)34-26(24)18-9-5-4-6-10-18/h4-6,9-10,13-16,22H,3,7-8,11-12H2,1-2H3,(H2,29,30)
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n/an/a 5.76E+3n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of human BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min by E...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50235408
PNG
(CHEMBL4080395)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1ccc(F)cc1)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H25FN2O3/c1-2-32-27(31)23-21(16-12-14-18(28)15-13-16)22-24(29)19-10-6-7-11-20(19)30-26(22)33-25(23)17-8-4-3-5-9-17/h3-5,8-9,12-15,21H,2,6-7,10-11H2,1H3,(H2,29,30)
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n/an/a 6.10E+3n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of human BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min by E...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50235421
PNG
(CHEMBL4069687)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1ccc(Br)cc1)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H25BrN2O3/c1-2-32-27(31)23-21(16-12-14-18(28)15-13-16)22-24(29)19-10-6-7-11-20(19)30-26(22)33-25(23)17-8-4-3-5-9-17/h3-5,8-9,12-15,21H,2,6-7,10-11H2,1H3,(H2,29,30)
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n/an/a 6.22E+3n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50235416
PNG
(CHEMBL4088245)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1cccc(OC)c1)c1ccccc1 |t:5|
Show InChI InChI=1S/C28H28N2O4/c1-3-33-28(31)24-22(18-12-9-13-19(16-18)32-2)23-25(29)20-14-7-8-15-21(20)30-27(23)34-26(24)17-10-5-4-6-11-17/h4-6,9-13,16,22H,3,7-8,14-15H2,1-2H3,(H2,29,30)
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n/an/a 7.14E+3n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of human BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min by E...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50235412
PNG
(CHEMBL4066967)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H25N3O5/c1-2-34-27(31)23-21(16-12-14-18(15-13-16)30(32)33)22-24(28)19-10-6-7-11-20(19)29-26(22)35-25(23)17-8-4-3-5-9-17/h3-5,8-9,12-15,21H,2,6-7,10-11H2,1H3,(H2,28,29)
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n/an/a 9.91E+3n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of human BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min by E...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50235413
PNG
(CHEMBL4087572)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1cccc(F)c1)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H25FN2O3/c1-2-32-27(31)23-21(17-11-8-12-18(28)15-17)22-24(29)19-13-6-7-14-20(19)30-26(22)33-25(23)16-9-4-3-5-10-16/h3-5,8-12,15,21H,2,6-7,13-14H2,1H3,(H2,29,30)
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n/an/a 1.17E+4n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of human BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min by E...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50235409
PNG
(CHEMBL4104619)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1ccc(Cl)cc1)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H25ClN2O3/c1-2-32-27(31)23-21(16-12-14-18(28)15-13-16)22-24(29)19-10-6-7-11-20(19)30-26(22)33-25(23)17-8-4-3-5-9-17/h3-5,8-9,12-15,21H,2,6-7,10-11H2,1H3,(H2,29,30)
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n/an/a 1.76E+4n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibitory activity against HepG2 Squalene Synthase (SQS)

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50235411
PNG
(CHEMBL4085074)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1ccc(Cl)cc1Cl)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H24Cl2N2O3/c1-2-33-27(32)23-21(17-13-12-16(28)14-19(17)29)22-24(30)18-10-6-7-11-20(18)31-26(22)34-25(23)15-8-4-3-5-9-15/h3-5,8-9,12-14,21H,2,6-7,10-11H2,1H3,(H2,30,31)
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n/an/a 2.27E+4n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of human BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min by E...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50235423
PNG
(CHEMBL4066209)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1cccc(c1)[N+]([O-])=O)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H25N3O5/c1-2-34-27(31)23-21(17-11-8-12-18(15-17)30(32)33)22-24(28)19-13-6-7-14-20(19)29-26(22)35-25(23)16-9-4-3-5-10-16/h3-5,8-12,15,21H,2,6-7,13-14H2,1H3,(H2,28,29)
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n/an/a 4.10E+4n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of human BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min by E...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50235415
PNG
(CHEMBL4061007)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1ccc(C)cc1)c1ccccc1 |t:5|
Show InChI InChI=1S/C28H28N2O3/c1-3-32-28(31)24-22(18-15-13-17(2)14-16-18)23-25(29)20-11-7-8-12-21(20)30-27(23)33-26(24)19-9-5-4-6-10-19/h4-6,9-10,13-16,22H,3,7-8,11-12H2,1-2H3,(H2,29,30)
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n/an/a 5.41E+4n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of human BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min by E...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50235421
PNG
(CHEMBL4069687)
Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1ccc(Br)cc1)c1ccccc1 |t:5|
Show InChI InChI=1S/C27H25BrN2O3/c1-2-32-27(31)23-21(16-12-14-18(28)15-13-16)22-24(29)19-10-6-7-11-20(19)30-26(22)33-25(23)17-8-4-3-5-9-17/h3-5,8-9,12-15,21H,2,6-7,10-11H2,1H3,(H2,29,30)
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n/an/a 7.43E+4n/an/an/an/an/an/a



University of Mazandaran

Curated by ChEMBL


Assay Description
Inhibition of human BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min by E...

Eur J Med Chem 128: 237-246 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.042
BindingDB Entry DOI: 10.7270/Q2GM89J3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%