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Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'chabchoub' and Initial = 'f'   
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
Histamine H3 receptor


(Homo sapiens (Human))		BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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 0.5n/an/an/an/an/an/an/an/a



Universit£ Bourgogne Franche-Comt£

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation countin...

J Med Chem 62: 11416-11422 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00937
BindingDB Entry DOI: 10.7270/Q2736V9G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50340109
PNG
(CHEMBL1762827 | rac-4-[(13-Amino-10,11,12,14-tetra...)
Show SMILES Nc1c2CCCCc2nc2Oc3ccc4ccccc4c3C(c3ccc(O)cc3)c12
Show InChI InChI=1S/C26H22N2O2/c27-25-19-7-3-4-8-20(19)28-26-24(25)22(16-9-12-17(29)13-10-16)23-18-6-2-1-5-15(18)11-14-21(23)30-26/h1-2,5-6,9-14,22,29H,3-4,7-8H2,(H2,27,28)
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 5n/an/an/an/an/an/an/an/a



Universit£ de Sfax

Curated by ChEMBL


Assay Description
Mixed inhibition of Electrophorus electricus acetylcholinesterase using acetylcholine as substrate by Ellman's method

Bioorg Med Chem Lett 21: 2384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.094
BindingDB Entry DOI: 10.7270/Q2D79BQQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50519742
PNG
(CHEMBL4469017)
Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OCCCN2CCCCC2)cc1)C(=O)OCC |c:5,10|
Show InChI InChI=1S/C27H38N2O5/c1-5-32-26(30)23-19(3)28-20(4)24(27(31)33-6-2)25(23)21-11-13-22(14-12-21)34-18-10-17-29-15-8-7-9-16-29/h11-14,25,28H,5-10,15-18H2,1-4H3
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 40n/an/an/an/an/an/an/an/a



Universit£ Bourgogne Franche-Comt£

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation countin...

J Med Chem 62: 11416-11422 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00937
BindingDB Entry DOI: 10.7270/Q2736V9G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50519739
PNG
(CHEMBL4443523)
Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OCCCCN2CCCC2)cc1)C(=O)OCC |c:5,10|
Show InChI InChI=1S/C27H38N2O5/c1-5-32-26(30)23-19(3)28-20(4)24(27(31)33-6-2)25(23)21-11-13-22(14-12-21)34-18-10-9-17-29-15-7-8-16-29/h11-14,25,28H,5-10,15-18H2,1-4H3
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 60n/an/an/an/an/an/an/an/a



Universit£ Bourgogne Franche-Comt£

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation countin...

J Med Chem 62: 11416-11422 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00937
BindingDB Entry DOI: 10.7270/Q2736V9G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50401238
PNG
(CHEMBL2206895)
Show SMILES COc1cc(ccc1O)C1c2ccc3ccccc3c2Oc2nc3CCCCc3c(N)c12
Show InChI InChI=1S/C27H24N2O3/c1-31-22-14-16(11-13-21(22)30)23-19-12-10-15-6-2-3-7-17(15)26(19)32-27-24(23)25(28)18-8-4-5-9-20(18)29-27/h2-3,6-7,10-14,23,30H,4-5,8-9H2,1H3,(H2,28,29)
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 81n/an/an/an/an/an/an/an/a



Universit£ de Sfax

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Eur J Med Chem 54: 750-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.038
BindingDB Entry DOI: 10.7270/Q2R78GCM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50519746
PNG
(CHEMBL4455698)
Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OCCCN2CCCC2)cc1)C(=O)OCC |c:5,10|
Show InChI InChI=1S/C26H36N2O5/c1-5-31-25(29)22-18(3)27-19(4)23(26(30)32-6-2)24(22)20-10-12-21(13-11-20)33-17-9-16-28-14-7-8-15-28/h10-13,24,27H,5-9,14-17H2,1-4H3
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 83n/an/an/an/an/an/an/an/a



Universit£ Bourgogne Franche-Comt£

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation countin...

J Med Chem 62: 11416-11422 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00937
BindingDB Entry DOI: 10.7270/Q2736V9G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50519740
PNG
(CHEMBL4528980)
Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OCCCCCN2CCCC2)cc1)C(=O)OCC |c:5,10|
Show InChI InChI=1S/C28H40N2O5/c1-5-33-27(31)24-20(3)29-21(4)25(28(32)34-6-2)26(24)22-12-14-23(15-13-22)35-19-11-7-8-16-30-17-9-10-18-30/h12-15,26,29H,5-11,16-19H2,1-4H3
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 425n/an/an/an/an/an/an/an/a



Universit£ Bourgogne Franche-Comt£

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation countin...

J Med Chem 62: 11416-11422 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00937
BindingDB Entry DOI: 10.7270/Q2736V9G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50519735
PNG
(CHEMBL4573309)
Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OCCCCCN2CCCCC2)cc1)C(=O)OCC |c:5,10|
Show InChI InChI=1S/C29H42N2O5/c1-5-34-28(32)25-21(3)30-22(4)26(29(33)35-6-2)27(25)23-13-15-24(16-14-23)36-20-12-8-11-19-31-17-9-7-10-18-31/h13-16,27,30H,5-12,17-20H2,1-4H3
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 565n/an/an/an/an/an/an/an/a



Universit£ Bourgogne Franche-Comt£

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation countin...

J Med Chem 62: 11416-11422 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00937
BindingDB Entry DOI: 10.7270/Q2736V9G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50234769
PNG
(CHEMBL4095908)
Show SMILES COc1cccc(c1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12
Show InChI InChI=1S/C26H23N3O2/c1-30-17-8-4-6-16(14-17)21-19-12-11-15-7-5-13-28-24(15)25(19)31-26-22(21)23(27)18-9-2-3-10-20(18)29-26/h4-8,11-14,21H,2-3,9-10H2,1H3,(H2,27,29)
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 870n/an/an/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant human AChE expressed in HEK293 cells using varying levels of acetylthiocholine iodide as substrate pretreat...

Eur J Med Chem 126: 576-589 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.050
BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50519745
PNG
(CHEMBL4518949)
Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OCCCN2CCCCC2)c(OCC)c1)C(=O)OCC |c:5,10|
Show InChI InChI=1S/C29H42N2O6/c1-6-34-24-19-22(13-14-23(24)37-18-12-17-31-15-10-9-11-16-31)27-25(28(32)35-7-2)20(4)30-21(5)26(27)29(33)36-8-3/h13-14,19,27,30H,6-12,15-18H2,1-5H3
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 1.62E+3n/an/an/an/an/an/an/an/a



Universit£ Bourgogne Franche-Comt£

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation countin...

J Med Chem 62: 11416-11422 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00937
BindingDB Entry DOI: 10.7270/Q2736V9G
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		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 0.0500n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE using butyrylthiocholine as substrate pretreated for 10 mins followed by substrate addition measured after 15 mins by...

Eur J Med Chem 126: 576-589 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.050
BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cholinesterase


(Equus caballus (Horse))		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 5.20n/an/an/an/an/an/a



Universit£ de Sfax

Curated by ChEMBL


Assay Description
Inhibition of horse serum butrylcholinesterase preincubated with compound for 10 mins using butrylcholine iodide as substrate after 15 mins by spectr...

Bioorg Med Chem Lett 21: 2384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.094
BindingDB Entry DOI: 10.7270/Q2D79BQQ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50340109
PNG
(CHEMBL1762827 | rac-4-[(13-Amino-10,11,12,14-tetra...)
Show SMILES Nc1c2CCCCc2nc2Oc3ccc4ccccc4c3C(c3ccc(O)cc3)c12
Show InChI InChI=1S/C26H22N2O2/c27-25-19-7-3-4-8-20(19)28-26-24(25)22(16-9-12-17(29)13-10-16)23-18-6-2-1-5-15(18)11-14-21(23)30-26/h1-2,5-6,9-14,22,29H,3-4,7-8H2,(H2,27,28)
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n/an/a 7n/an/an/an/an/an/a



Universit£ de Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...

Bioorg Med Chem Lett 21: 2384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.094
BindingDB Entry DOI: 10.7270/Q2D79BQQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50340111
PNG
(CHEMBL1762829 | rac-14-(3'-Methoxyphenyl)-10,11,12...)
Show SMILES COc1cccc(c1)C1c2c(N)c3CCCCc3nc2Oc2ccc3ccccc3c12
Show InChI InChI=1S/C27H24N2O2/c1-30-18-9-6-8-17(15-18)23-24-19-10-3-2-7-16(19)13-14-22(24)31-27-25(23)26(28)20-11-4-5-12-21(20)29-27/h2-3,6-10,13-15,23H,4-5,11-12H2,1H3,(H2,28,29)
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n/an/a 16n/an/an/an/an/an/a



Universit£ de Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...

Bioorg Med Chem Lett 21: 2384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.094
BindingDB Entry DOI: 10.7270/Q2D79BQQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50340110
PNG
(CHEMBL1762828 | rac-14-(4'-Methoxyphenyl)-10,11,12...)
Show SMILES COc1ccc(cc1)C1c2c(N)c3CCCCc3nc2Oc2ccc3ccccc3c12
Show InChI InChI=1S/C27H24N2O2/c1-30-18-13-10-17(11-14-18)23-24-19-7-3-2-6-16(19)12-15-22(24)31-27-25(23)26(28)20-8-4-5-9-21(20)29-27/h2-3,6-7,10-15,23H,4-5,8-9H2,1H3,(H2,28,29)
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n/an/a 18n/an/an/an/an/an/a



Universit£ de Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...

Bioorg Med Chem Lett 21: 2384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.094
BindingDB Entry DOI: 10.7270/Q2D79BQQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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n/an/a 19n/an/an/an/an/an/a



Universit£ Bourgogne Franche-Comt£

Curated by ChEMBL


Assay Description
Antagonist activity at human H4 receptor expressed in CHO-K1 cells co-expressing G protein alpha16 assessed as inhibition of histamine-induced calciu...

J Med Chem 62: 11416-11422 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00937
BindingDB Entry DOI: 10.7270/Q2736V9G
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50340112
PNG
(CHEMBL1762830 | rac-14-(2'-Methoxyphenyl)-10,11,12...)
Show SMILES COc1ccccc1C1c2c(N)c3CCCCc3nc2Oc2ccc3ccccc3c12
Show InChI InChI=1S/C27H24N2O2/c1-30-21-13-7-5-11-19(21)24-23-17-9-3-2-8-16(17)14-15-22(23)31-27-25(24)26(28)18-10-4-6-12-20(18)29-27/h2-3,5,7-9,11,13-15,24H,4,6,10,12H2,1H3,(H2,28,29)
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n/an/a 20n/an/an/an/an/an/a



Universit£ de Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...

Bioorg Med Chem Lett 21: 2384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.094
BindingDB Entry DOI: 10.7270/Q2D79BQQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50340116
PNG
(CHEMBL1762834 | rac-14-(3',4',5'-Trimethoxyphenyl)...)
Show SMILES COc1cc(cc(OC)c1OC)C1c2c(N)c3CCCCc3nc2Oc2ccc3ccccc3c12
Show InChI InChI=1S/C29H28N2O4/c1-32-22-14-17(15-23(33-2)28(22)34-3)24-25-18-9-5-4-8-16(18)12-13-21(25)35-29-26(24)27(30)19-10-6-7-11-20(19)31-29/h4-5,8-9,12-15,24H,6-7,10-11H2,1-3H3,(H2,30,31)
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n/an/a 26n/an/an/an/an/an/a



Universit£ de Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...

Bioorg Med Chem Lett 21: 2384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.094
BindingDB Entry DOI: 10.7270/Q2D79BQQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50340115
PNG
(CHEMBL1762833 | rac-14-(3',4'-Dimethoxyphenyl)-10,...)
Show SMILES COc1ccc(cc1OC)C1c2c(N)c3CCCCc3nc2Oc2ccc3ccccc3c12
Show InChI InChI=1S/C28H26N2O3/c1-31-21-13-12-17(15-23(21)32-2)24-25-18-8-4-3-7-16(18)11-14-22(25)33-28-26(24)27(29)19-9-5-6-10-20(19)30-28/h3-4,7-8,11-15,24H,5-6,9-10H2,1-2H3,(H2,29,30)
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n/an/a 26n/an/an/an/an/an/a



Universit£ de Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...

Bioorg Med Chem Lett 21: 2384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.094
BindingDB Entry DOI: 10.7270/Q2D79BQQ
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 27n/an/an/an/an/an/a



Universit£ de Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...

Bioorg Med Chem Lett 21: 2384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.094
BindingDB Entry DOI: 10.7270/Q2D79BQQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50340114
PNG
(CHEMBL1762832 | rac-4-[13-Amino-10,11,12,14-tetrah...)
Show SMILES COc1cc(ccc1O)C1c2c(N)c3CCCCc3nc2Oc2ccc3ccccc3c12
Show InChI InChI=1S/C27H24N2O3/c1-31-22-14-16(10-12-20(22)30)23-24-17-7-3-2-6-15(17)11-13-21(24)32-27-25(23)26(28)18-8-4-5-9-19(18)29-27/h2-3,6-7,10-14,23,30H,4-5,8-9H2,1H3,(H2,28,29)
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n/an/a 28n/an/an/an/an/an/a



Universit£ de Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...

Bioorg Med Chem Lett 21: 2384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.094
BindingDB Entry DOI: 10.7270/Q2D79BQQ
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 30n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...

Eur J Med Chem 126: 576-589 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.050
BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234769
PNG
(CHEMBL4095908)
Show SMILES COc1cccc(c1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12
Show InChI InChI=1S/C26H23N3O2/c1-30-17-8-4-6-16(14-17)21-19-12-11-15-7-5-13-28-24(15)25(19)31-26-22(21)23(27)18-9-2-3-10-20(18)29-26/h4-8,11-14,21H,2-3,9-10H2,1H3,(H2,27,29)
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n/an/a 40n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...

Eur J Med Chem 126: 576-589 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.050
BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234775
PNG
(CHEMBL4103664)
Show SMILES Cc1ccc(cc1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12
Show InChI InChI=1S/C26H23N3O/c1-15-8-10-16(11-9-15)21-19-13-12-17-5-4-14-28-24(17)25(19)30-26-22(21)23(27)18-6-2-3-7-20(18)29-26/h4-5,8-14,21H,2-3,6-7H2,1H3,(H2,27,29)
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n/an/a 40n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...

Eur J Med Chem 126: 576-589 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.050
BindingDB Entry DOI: 10.7270/Q21R6SR5
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 40n/an/an/an/an/an/a



Universit£ de Sfax

Curated by ChEMBL


Assay Description
Inhibition of human BuChE using butyrylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by El...

Eur J Med Chem 54: 750-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.038
BindingDB Entry DOI: 10.7270/Q2R78GCM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234768
PNG
(CHEMBL4085738)
Show SMILES COc1ccc(cc1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12
Show InChI InChI=1S/C26H23N3O2/c1-30-17-11-8-15(9-12-17)21-19-13-10-16-5-4-14-28-24(16)25(19)31-26-22(21)23(27)18-6-2-3-7-20(18)29-26/h4-5,8-14,21H,2-3,6-7H2,1H3,(H2,27,29)
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n/an/a 40n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...

Eur J Med Chem 126: 576-589 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.050
BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50340108
PNG
(CHEMBL1762826 | rac-14-(4'-Methylphenyl)-10,11,12,...)
Show SMILES Cc1ccc(cc1)C1c2c(Oc3ccc4ccccc4c13)nc1CCCCc1c2N
Show InChI InChI=1S/C27H24N2O/c1-16-10-12-18(13-11-16)23-24-19-7-3-2-6-17(19)14-15-22(24)30-27-25(23)26(28)20-8-4-5-9-21(20)29-27/h2-3,6-7,10-15,23H,4-5,8-9H2,1H3,(H2,28,29)
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n/an/a 43n/an/an/an/an/an/a



Universit£ de Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...

Bioorg Med Chem Lett 21: 2384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.094
BindingDB Entry DOI: 10.7270/Q2D79BQQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234772
PNG
(CHEMBL4067497)
Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3ccccc3)c12
Show InChI InChI=1S/C25H21N3O/c26-22-17-10-4-5-11-19(17)28-25-21(22)20(15-7-2-1-3-8-15)18-13-12-16-9-6-14-27-23(16)24(18)29-25/h1-3,6-9,12-14,20H,4-5,10-11H2,(H2,26,28)
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n/an/a 60n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...

Eur J Med Chem 126: 576-589 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.050
BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234770
PNG
(CHEMBL4077878)
Show SMILES COc1ccccc1C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12
Show InChI InChI=1S/C26H23N3O2/c1-30-20-11-5-3-9-17(20)21-18-13-12-15-7-6-14-28-24(15)25(18)31-26-22(21)23(27)16-8-2-4-10-19(16)29-26/h3,5-7,9,11-14,21H,2,4,8,10H2,1H3,(H2,27,29)
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n/an/a 80n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...

Eur J Med Chem 126: 576-589 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.050
BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234774
PNG
(CHEMBL4104551)
Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3cccc(F)c3)c12
Show InChI InChI=1S/C25H20FN3O/c26-16-7-3-5-15(13-16)20-18-11-10-14-6-4-12-28-23(14)24(18)30-25-21(20)22(27)17-8-1-2-9-19(17)29-25/h3-7,10-13,20H,1-2,8-9H2,(H2,27,29)
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n/an/a 90n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...

Eur J Med Chem 126: 576-589 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.050
BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234778
PNG
(CHEMBL4088178)
Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3c(Cl)cccc3Cl)c12
Show InChI InChI=1S/C25H19Cl2N3O/c26-16-7-3-8-17(27)20(16)19-15-11-10-13-5-4-12-29-23(13)24(15)31-25-21(19)22(28)14-6-1-2-9-18(14)30-25/h3-5,7-8,10-12,19H,1-2,6,9H2,(H2,28,30)
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n/an/a 100n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...

Eur J Med Chem 126: 576-589 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.050
BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50340113
PNG
(CHEMBL1762831 | rac-4-[12-Amino-9,10,11,13-tetrahy...)
Show SMILES COc1cc(ccc1O)C1c2c(N)c3CCCc3nc2Oc2ccc3ccccc3c12
Show InChI InChI=1S/C26H22N2O3/c1-30-21-13-15(9-11-19(21)29)22-23-16-6-3-2-5-14(16)10-12-20(23)31-26-24(22)25(27)17-7-4-8-18(17)28-26/h2-3,5-6,9-13,22,29H,4,7-8H2,1H3,(H2,27,28)
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n/an/a 101n/an/an/an/an/an/a



Universit£ de Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...

Bioorg Med Chem Lett 21: 2384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.094
BindingDB Entry DOI: 10.7270/Q2D79BQQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234771
PNG
(CHEMBL4094917)
Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3ccccc3F)c12
Show InChI InChI=1S/C25H20FN3O/c26-18-9-3-1-7-15(18)20-17-12-11-14-6-5-13-28-23(14)24(17)30-25-21(20)22(27)16-8-2-4-10-19(16)29-25/h1,3,5-7,9,11-13,20H,2,4,8,10H2,(H2,27,29)
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n/an/a 110n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...

Eur J Med Chem 126: 576-589 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.050
BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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 130n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...

Eur J Med Chem 126: 576-589 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.050
BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234777
PNG
(CHEMBL4080318)
Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3ccccc3Br)c12
Show InChI InChI=1S/C25H20BrN3O/c26-18-9-3-1-7-15(18)20-17-12-11-14-6-5-13-28-23(14)24(17)30-25-21(20)22(27)16-8-2-4-10-19(16)29-25/h1,3,5-7,9,11-13,20H,2,4,8,10H2,(H2,27,29)
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n/an/a 140n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...

Eur J Med Chem 126: 576-589 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.050
BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50340117
PNG
(CHEMBL1762835 | rac-14-(4'-Nitrophenyl)-10,11,12,1...)
Show SMILES Nc1c2CCCCc2nc2Oc3ccc4ccccc4c3C(c3ccc(cc3)[N+]([O-])=O)c12
Show InChI InChI=1S/C26H21N3O3/c27-25-19-7-3-4-8-20(19)28-26-24(25)22(16-9-12-17(13-10-16)29(30)31)23-18-6-2-1-5-15(18)11-14-21(23)32-26/h1-2,5-6,9-14,22H,3-4,7-8H2,(H2,27,28)
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n/an/a 170n/an/an/an/an/an/a



Universit£ de Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...

Bioorg Med Chem Lett 21: 2384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.094
BindingDB Entry DOI: 10.7270/Q2D79BQQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234773
PNG
(CHEMBL4065862)
Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3cccnc3Br)c12
Show InChI InChI=1S/C24H19BrN4O/c25-23-16(7-4-12-28-23)18-15-10-9-13-5-3-11-27-21(13)22(15)30-24-19(18)20(26)14-6-1-2-8-17(14)29-24/h3-5,7,9-12,18H,1-2,6,8H2,(H2,26,29)
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n/an/a 190n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...

Eur J Med Chem 126: 576-589 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.050
BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50234777
PNG
(CHEMBL4080318)
Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3ccccc3Br)c12
Show InChI InChI=1S/C25H20BrN3O/c26-18-9-3-1-7-15(18)20-17-12-11-14-6-5-13-28-23(14)24(17)30-25-21(20)22(27)16-8-2-4-10-19(16)29-25/h1,3,5-7,9,11-13,20H,2,4,8,10H2,(H2,27,29)
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n/an/a 210n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE using butyrylthiocholine as substrate pretreated for 10 mins followed by substrate addition measured after 15 mins by...

Eur J Med Chem 126: 576-589 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.050
BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234776
PNG
(CHEMBL4066907)
Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3ccc(cc3)[N+]([O-])=O)c12
Show InChI InChI=1S/C25H20N4O3/c26-22-17-5-1-2-6-19(17)28-25-21(22)20(14-7-10-16(11-8-14)29(30)31)18-12-9-15-4-3-13-27-23(15)24(18)32-25/h3-4,7-13,20H,1-2,5-6H2,(H2,26,28)
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n/an/a 240n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...

Eur J Med Chem 126: 576-589 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.050
BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50401247
PNG
(CHEMBL2206891)
Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4ccccc34)C(c3ccccc3)c12
Show InChI InChI=1S/C26H22N2O/c27-24-19-12-6-7-13-21(19)28-26-23(24)22(17-9-2-1-3-10-17)20-15-14-16-8-4-5-11-18(16)25(20)29-26/h1-5,8-11,14-15,22H,6-7,12-13H2,(H2,27,28)
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n/an/a 300n/an/an/an/an/an/a



Universit£ de Sfax

Curated by ChEMBL


Assay Description
Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...

Eur J Med Chem 54: 750-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.038
BindingDB Entry DOI: 10.7270/Q2R78GCM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50401238
PNG
(CHEMBL2206895)
Show SMILES COc1cc(ccc1O)C1c2ccc3ccccc3c2Oc2nc3CCCCc3c(N)c12
Show InChI InChI=1S/C27H24N2O3/c1-31-22-14-16(11-13-21(22)30)23-19-12-10-15-6-2-3-7-17(15)26(19)32-27-24(23)25(28)18-8-4-5-9-20(18)29-27/h2-3,6-7,10-14,23,30H,4-5,8-9H2,1H3,(H2,28,29)
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n/an/a 330n/an/an/an/an/an/a



Universit£ de Sfax

Curated by ChEMBL


Assay Description
Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...

Eur J Med Chem 54: 750-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.038
BindingDB Entry DOI: 10.7270/Q2R78GCM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(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 350n/an/an/an/an/an/a



Universit£ de Sfax

Curated by ChEMBL


Assay Description
Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...

Eur J Med Chem 54: 750-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.038
BindingDB Entry DOI: 10.7270/Q2R78GCM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50401243
PNG
(CHEMBL2206896)
Show SMILES COc1ccc(C2c3ccc4ccccc4c3Oc3nc4CCCCc4c(N)c23)c(OC)c1
Show InChI InChI=1S/C28H26N2O3/c1-31-17-12-14-20(23(15-17)32-2)24-21-13-11-16-7-3-4-8-18(16)27(21)33-28-25(24)26(29)19-9-5-6-10-22(19)30-28/h3-4,7-8,11-15,24H,5-6,9-10H2,1-2H3,(H2,29,30)
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n/an/a 370n/an/an/an/an/an/a



Universit£ de Sfax

Curated by ChEMBL


Assay Description
Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...

Eur J Med Chem 54: 750-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.038
BindingDB Entry DOI: 10.7270/Q2R78GCM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50401246
PNG
(CHEMBL2206892)
Show SMILES Cc1ccc(cc1)C1c2ccc3ccccc3c2Oc2nc3CCCCc3c(N)c12
Show InChI InChI=1S/C27H24N2O/c1-16-10-12-18(13-11-16)23-21-15-14-17-6-2-3-7-19(17)26(21)30-27-24(23)25(28)20-8-4-5-9-22(20)29-27/h2-3,6-7,10-15,23H,4-5,8-9H2,1H3,(H2,28,29)
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n/an/a 400n/an/an/an/an/an/a



Universit£ de Sfax

Curated by ChEMBL


Assay Description
Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by Ellm...

Eur J Med Chem 54: 750-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.038
BindingDB Entry DOI: 10.7270/Q2R78GCM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50234767
PNG
(CHEMBL4093479)
Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3ccncc3)c12
Show InChI InChI=1S/C24H20N4O/c25-21-16-5-1-2-6-18(16)28-24-20(21)19(14-9-12-26-13-10-14)17-8-7-15-4-3-11-27-22(15)23(17)29-24/h3-4,7-13,19H,1-2,5-6H2,(H2,25,28)
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n/an/a 470n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...

Eur J Med Chem 126: 576-589 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.050
BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50234775
PNG
(CHEMBL4103664)
Show SMILES Cc1ccc(cc1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12
Show InChI InChI=1S/C26H23N3O/c1-15-8-10-16(11-9-15)21-19-13-12-17-5-4-14-28-24(17)25(19)30-26-22(21)23(27)18-6-2-3-7-20(18)29-26/h4-5,8-14,21H,2-3,6-7H2,1H3,(H2,27,29)
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n/an/a 530n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE using butyrylthiocholine as substrate pretreated for 10 mins followed by substrate addition measured after 15 mins by...

Eur J Med Chem 126: 576-589 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.050
BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50234771
PNG
(CHEMBL4094917)
Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3ccccc3F)c12
Show InChI InChI=1S/C25H20FN3O/c26-18-9-3-1-7-15(18)20-17-12-11-14-6-5-13-28-23(14)24(17)30-25-21(20)22(27)16-8-2-4-10-19(16)29-25/h1,3,5-7,9,11-13,20H,2,4,8,10H2,(H2,27,29)
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n/an/a 630n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE using butyrylthiocholine as substrate pretreated for 10 mins followed by substrate addition measured after 15 mins by...

Eur J Med Chem 126: 576-589 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.050
BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50401248
PNG
(CHEMBL252380)
Show SMILES CCOC(=O)c1c(C)nc2nc3CCCCc3c(N)c2c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H22FN3O2/c1-3-28-22(27)17-12(2)25-21-19(18(17)13-8-10-14(23)11-9-13)20(24)15-6-4-5-7-16(15)26-21/h8-11H,3-7H2,1-2H3,(H2,24,25,26)
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n/an/a 710n/an/an/an/an/an/a



Universit£ de Sfax

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE

Eur J Med Chem 54: 750-63 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.038
BindingDB Entry DOI: 10.7270/Q2R78GCM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50234769
PNG
(CHEMBL4095908)
Show SMILES COc1cccc(c1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12
Show InChI InChI=1S/C26H23N3O2/c1-30-17-8-4-6-16(14-17)21-19-12-11-15-7-5-13-28-24(15)25(19)31-26-22(21)23(27)18-9-2-3-10-20(18)29-26/h4-8,11-14,21H,2-3,9-10H2,1H3,(H2,27,29)
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n/an/a 750n/an/an/an/an/an/a



University of Sfax

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...

Eur J Med Chem 126: 576-589 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.050
BindingDB Entry DOI: 10.7270/Q21R6SR5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50241346
PNG
(10-Amino-4-(4-methoxy-phenyl)-2-methyl-5,6,7,8-tet...)
Show SMILES CCOC(=O)C1=C(C)Oc2nc3CCCCc3c(N)c2C1c1ccc(OC)cc1 |c:5|
Show InChI InChI=1S/C23H26N2O4/c1-4-28-23(26)18-13(2)29-22-20(19(18)14-9-11-15(27-3)12-10-14)21(24)16-7-5-6-8-17(16)25-22/h9-12,19H,4-8H2,1-3H3,(H2,24,25)
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n/an/a 868n/an/an/an/an/an/a



Universit£ de Sfax

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus acetylcholinesterase preincubated with compound for 10 mins using acetylcholine iodide as substrate after 15 m...

Bioorg Med Chem Lett 21: 2384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.094
BindingDB Entry DOI: 10.7270/Q2D79BQQ
More data for this
Ligand-Target Pair
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