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Compile Data Set for Download or QSAR

Found 695 hits with Last Name = 'moradi' and Initial = 'a'   
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))		BDBM50052204
PNG
(CHEMBL3318392)
Show SMILES [Cl-].Clc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H15ClN2O/c22-19-7-3-1-5-16(19)14-24-11-9-15(10-12-24)13-18-17-6-2-4-8-20(17)23-21(18)25/h1-13H,14H2/p+1
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 1.10n/an/an/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Mixed type inhibition of electric eel AChE using acetylthiocholine iodide substrate by Lineweaver-Burk plot analysis

Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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 4.20n/an/an/an/an/an/an/an/a



Tehran University of Medicinal Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE pre-incubated for 3 mins before acetylthiocholine substrate addition by Lineweaver-Burk plot

Eur J Med Chem 97: 181-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.055
BindingDB Entry DOI: 10.7270/Q2P84DM4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50457028
PNG
(CHEMBL4218303)
Show SMILES COc1ccccc1C1c2c(nc3CCCCc3c2N)-n2n1c(=O)c1ccccc1c2=O
Show InChI InChI=1S/C25H22N4O3/c1-32-19-13-7-5-11-17(19)22-20-21(26)16-10-4-6-12-18(16)27-23(20)29-25(31)15-9-3-2-8-14(15)24(30)28(22)29/h2-3,5,7-9,11,13,22H,4,6,10,12H2,1H3,(H2,26,27)
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 13n/an/an/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measur...

Eur J Med Chem 139: 280-289 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SX6GVB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50440441
PNG
(CHEMBL2425846)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4ccc(F)cc4)c12)c(=O)oc1ccccc31
Show InChI InChI=1S/C25H19FN2O3/c26-14-11-9-13(10-12-14)19-20-22(27)15-5-1-3-7-17(15)28-24(20)31-23-16-6-2-4-8-18(16)30-25(29)21(19)23/h2,4,6,8-12,19H,1,3,5,7H2,(H2,27,28)
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 22n/an/an/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis

Eur J Med Chem 68: 291-300 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.045
BindingDB Entry DOI: 10.7270/Q2794637
More data for this
Ligand-Target Pair
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


(Equus caballus (Horse))		BDBM50464028
PNG
(CHEMBL4241164)
Show SMILES [Cl-].Clc1ccc(C[n+]2cccc(Cn3c4ccccc4c4ccccc34)c2)cc1
Show InChI InChI=1S/C25H20ClN2/c26-21-13-11-19(12-14-21)16-27-15-5-6-20(17-27)18-28-24-9-3-1-7-22(24)23-8-2-4-10-25(23)28/h1-15,17H,16,18H2/q+1
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 90n/an/an/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Mixed-type inhibition of equine serum BuChE using varying levels of butyrylthiocholine iodide as substrate preincubated for 10 mins followed by subst...

Bioorg Med Chem 26: 4952-4962 (2018)


Article DOI: 10.1016/j.bmc.2018.08.035
BindingDB Entry DOI: 10.7270/Q2NS0XJS
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50422387
PNG
(CHEMBL4159171)
Show SMILES [Cl-].Cc1ccc(C[n+]2cccc(Cn3c4CCCCc4c4ccccc34)c2)cc1
Show InChI InChI=1S/C52H76N4O2/c1-53-35-17-7-5-6-8-18-36-54(2)38-20-10-12-22-40-56(44-50-24-14-16-26-52(50)58-4)42-46-29-33-48(34-30-46)47-31-27-45(28-32-47)41-55(39-21-11-9-19-37-53)43-49-23-13-15-25-51(49)57-3/h13-16,23-34H,5-12,17-22,35-44H2,1-4H3
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 90n/an/an/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Mixed-type inhibition of equine serum BChE using varying levels of butyrylthiocholine iodide as substrate by Lineweaver-burk plot analysis

Eur J Med Chem 155: 49-60 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.031
BindingDB Entry DOI: 10.7270/Q2765HWM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50080392
PNG
(CHEMBL3416513)
Show SMILES Cl.CCOc1ccc2C(=O)\C(COc2c1)=C\c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H29NO4.ClH/c1-2-28-22-10-11-23-24(17-22)30-18-20(25(23)27)16-19-6-8-21(9-7-19)29-15-14-26-12-4-3-5-13-26;/h6-11,16-17H,2-5,12-15,18H2,1H3;1H/b20-16+;
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 270n/an/an/an/an/an/an/an/a



Tehran University of Medicinal Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE pre-incubated for 3 mins before acetylthiocholine substrate addition by Lineweaver-Burk plot

Eur J Med Chem 97: 181-9 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.055
BindingDB Entry DOI: 10.7270/Q2P84DM4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50204859
PNG
(CHEMBL3939483)
Show SMILES Nc1c2CCCCc2cc2Oc3[nH]nc(c3C(c3ccc(F)cc3)c12)-c1ccccc1
Show InChI InChI=1S/C26H22FN3O/c27-18-12-10-15(11-13-18)21-22-20(14-17-8-4-5-9-19(17)24(22)28)31-26-23(21)25(29-30-26)16-6-2-1-3-7-16/h1-3,6-7,10-14,21H,4-5,8-9,28H2,(H,29,30)
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 490n/an/an/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Mixed type inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured f...

Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50038390
PNG
(CHEMBL3352904)
Show SMILES COc1ccc(cc1OC)C1c2c(C)[nH]nc2Oc2nc3CCCCc3c(N)c12
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 490n/an/an/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Lineweaver-Burk plot

Eur J Med Chem 89: 296-303 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.049
BindingDB Entry DOI: 10.7270/Q2T72K1Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50197934
PNG
(CHEMBL3889532)
Show SMILES Fc1ccc(COc2ccc3cc(C(=O)NCCc4c[nH]c5ccccc45)c(=O)oc3c2)cc1
Show InChI InChI=1S/C27H21FN2O4/c28-20-8-5-17(6-9-20)16-33-21-10-7-18-13-23(27(32)34-25(18)14-21)26(31)29-12-11-19-15-30-24-4-2-1-3-22(19)24/h1-10,13-15,30H,11-12,16H2,(H,29,31)
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 490n/an/an/an/an/an/an/an/a



Islamic Azad University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 2 mins by Lineweaver-Burk plot analysis

Eur J Med Chem 121: 40-46 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.014
BindingDB Entry DOI: 10.7270/Q2XS5XBG
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50020730
PNG
(CHEMBL1469070)
Show SMILES O=C(COc1ccc2ccc(=O)oc2c1)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24N2O4/c26-22(16-28-20-8-6-18-7-9-23(27)29-21(18)14-20)24-19-10-12-25(13-11-19)15-17-4-2-1-3-5-17/h1-9,14,19H,10-13,15-16H2,(H,24,26)
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 1.32E+3n/an/an/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine as substrate by Lineweavere-Burk plot

Eur J Med Chem 82: 536-44 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.056
BindingDB Entry DOI: 10.7270/Q27D2WQV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50402577
PNG
(CHEMBL2206129)
Show SMILES Fc1ccccc1C[n+]1ccc(\C=C\C(=O)c2cc3cc(Br)ccc3oc2=O)cc1
Show InChI InChI=1S/C24H16BrFNO3/c25-19-6-8-23-18(13-19)14-20(24(29)30-23)22(28)7-5-16-9-11-27(12-10-16)15-17-3-1-2-4-21(17)26/h1-14H,15H2/q+1/b7-5+
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n/an/a 0.110n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50402583
PNG
(CHEMBL2206123)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4ccccc4C)cc3)c(=O)oc12
Show InChI InChI=1S/C26H22NO4/c1-18-6-3-4-7-21(18)17-27-14-12-19(13-15-27)10-11-23(28)22-16-20-8-5-9-24(30-2)25(20)31-26(22)29/h3-16H,17H2,1-2H3/q+1/b11-10+
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n/an/a 0.160n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50443517
PNG
(CHEMBL3087899)
Show SMILES [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H25N3O5/c28-23(21-15-19-14-20(27(30)31)6-7-22(19)32-24(21)29)25-11-8-17-9-12-26(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17H,8-13,16H2,(H,25,28)
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n/an/a 0.300n/an/an/an/an/an/a



Kerman University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 15 mins prior to substrate addition by Ellman's method

Eur J Med Chem 70: 623-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.024
BindingDB Entry DOI: 10.7270/Q2GQ7070
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50422394
PNG
(CHEMBL3558149)
Show SMILES Clc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39(29-19-9-5-15-25-37)27-17-7-3-4-8-18-28-40(30-20-10-6-16-26-38)32-34-22-12-14-24-36(34)42-2/h11-14,21-24H,3-10,15-20,25-32,37-38H2,1-2H3
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n/an/a 0.400n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...

Eur J Med Chem 155: 49-60 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.031
BindingDB Entry DOI: 10.7270/Q2765HWM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50052204
PNG
(CHEMBL3318392)
Show SMILES [Cl-].Clc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H15ClN2O/c22-19-7-3-1-5-16(19)14-24-11-9-15(10-12-24)13-18-17-6-2-4-8-20(17)23-21(18)25/h1-13H,14H2/p+1
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n/an/a 0.440n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry

Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50402576
PNG
(CHEMBL2206130)
Show SMILES Fc1ccc(C[n+]2ccc(\C=C\C(=O)c3cc4cc(Br)ccc4oc3=O)cc2)cc1
Show InChI InChI=1S/C24H16BrFNO3/c25-19-4-8-23-18(13-19)14-21(24(29)30-23)22(28)7-3-16-9-11-27(12-10-16)15-17-1-5-20(26)6-2-17/h1-14H,15H2/q+1/b7-3+
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n/an/a 0.460n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50402587
PNG
(CHEMBL2206119)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4ccccc4Cl)cc3)c(=O)oc12
Show InChI InChI=1S/C25H19ClNO4/c1-30-23-8-4-6-18-15-20(25(29)31-24(18)23)22(28)10-9-17-11-13-27(14-12-17)16-19-5-2-3-7-21(19)26/h2-15H,16H2,1H3/q+1/b10-9+
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n/an/a 0.460n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50402590
PNG
(CHEMBL2205576)
Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4cccc(F)c4)cc3)c(=O)oc12
Show InChI InChI=1S/C25H19FNO4/c1-30-23-7-3-5-19-15-21(25(29)31-24(19)23)22(28)9-8-17-10-12-27(13-11-17)16-18-4-2-6-20(26)14-18/h2-15H,16H2,1H3/q+1/b9-8+
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n/an/a 0.470n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method

Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50052206
PNG
(CHEMBL3318391)
Show SMILES [Cl-].Fc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H15FN2O/c22-19-7-3-1-5-16(19)14-24-11-9-15(10-12-24)13-18-17-6-2-4-8-20(17)23-21(18)25/h1-13H,14H2/p+1
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n/an/a 1.30n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry

Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50052208
PNG
(CHEMBL3318394)
Show SMILES [Cl-].Brc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H15BrN2O/c22-19-7-3-1-5-16(19)14-24-11-9-15(10-12-24)13-18-17-6-2-4-8-20(17)23-21(18)25/h1-13H,14H2/p+1
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n/an/a 1.5n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry

Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50443518
PNG
(CHEMBL3087898)
Show SMILES Brc1ccc2oc(=O)c(cc2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H25BrN2O3/c25-20-6-7-22-19(14-20)15-21(24(29)30-22)23(28)26-11-8-17-9-12-27(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17H,8-13,16H2,(H,26,28)
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n/an/a 2n/an/an/an/an/an/a



Kerman University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 15 mins prior to substrate addition by Ellman's method

Eur J Med Chem 70: 623-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.024
BindingDB Entry DOI: 10.7270/Q2GQ7070
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50443513
PNG
(CHEMBL3087903)
Show SMILES COc1cccc2cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)oc12
Show InChI InChI=1S/C25H28N2O4/c1-30-22-9-5-8-20-16-21(25(29)31-23(20)22)24(28)26-13-10-18-11-14-27(15-12-18)17-19-6-3-2-4-7-19/h2-9,16,18H,10-15,17H2,1H3,(H,26,28)
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n/an/a 2n/an/an/an/an/an/a



Kerman University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 15 mins prior to substrate addition by Ellman's method

Eur J Med Chem 70: 623-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.024
BindingDB Entry DOI: 10.7270/Q2GQ7070
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM16047
PNG
((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 (1 to 460 residues) expressed in baculovirus-infected insect cells using Rh-EVNLDAEFK-quencher as substrate mea...

Eur J Med Chem 155: 49-60 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.031
BindingDB Entry DOI: 10.7270/Q2765HWM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50052210
PNG
(CHEMBL3318398)
Show SMILES [Cl-].Fc1cccc(Cl)c1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C21H14ClFN2O/c22-18-5-3-6-19(23)17(18)13-25-10-8-14(9-11-25)12-16-15-4-1-2-7-20(15)24-21(16)26/h1-12H,13H2/p+1
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n/an/a 4.10n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry

Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50052212
PNG
(CHEMBL3318400)
Show SMILES [Br-].Clc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1
Show InChI InChI=1S/C21H15ClN2O/c22-17-5-3-4-16(12-17)14-24-10-8-15(9-11-24)13-19-18-6-1-2-7-20(18)23-21(19)25/h1-13H,14H2/p+1
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n/an/a 4.90n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry

Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50440441
PNG
(CHEMBL2425846)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4ccc(F)cc4)c12)c(=O)oc1ccccc31
Show InChI InChI=1S/C25H19FN2O3/c26-14-11-9-13(10-12-14)19-20-22(27)15-5-1-3-7-17(15)28-24(20)31-23-16-6-2-4-8-18(16)30-25(29)21(19)23/h2,4,6,8-12,19H,1,3,5,7H2,(H2,27,28)
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n/an/a 5n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 68: 291-300 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.045
BindingDB Entry DOI: 10.7270/Q2794637
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50443515
PNG
(CHEMBL3087901)
Show SMILES COc1ccc2cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1
Show InChI InChI=1S/C25H28N2O4/c1-30-21-8-7-20-15-22(25(29)31-23(20)16-21)24(28)26-12-9-18-10-13-27(14-11-18)17-19-5-3-2-4-6-19/h2-8,15-16,18H,9-14,17H2,1H3,(H,26,28)
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n/an/a 5n/an/an/an/an/an/a



Kerman University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 15 mins prior to substrate addition by Ellman's method

Eur J Med Chem 70: 623-30 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.024
BindingDB Entry DOI: 10.7270/Q2GQ7070
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204847
PNG
(CHEMBL3895802)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4ccccc4)c12)c(nn3-c1ccccc1)-c1ccco1
Show InChI InChI=1S/C29H24N4O2/c30-26-20-14-7-8-15-21(20)31-28-24(26)23(18-10-3-1-4-11-18)25-27(22-16-9-17-34-22)32-33(29(25)35-28)19-12-5-2-6-13-19/h1-6,9-13,16-17,23H,7-8,14-15H2,(H2,30,31)
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n/an/a 5n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...

Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50052214
PNG
(CHEMBL3318402)
Show SMILES [Cl-].Cc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1
Show InChI InChI=1S/C22H18N2O.ClH/c1-16-5-4-6-18(13-16)15-24-11-9-17(10-12-24)14-20-19-7-2-3-8-21(19)23-22(20)25;/h2-14H,15H2,1H3;1H
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n/an/a 5.20n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry

Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204842
PNG
(CHEMBL3927698)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(OC)cc1
Show InChI InChI=1S/C23H26N4O2/c1-3-6-17-19-18(13-9-11-14(28-2)12-10-13)20-21(24)15-7-4-5-8-16(15)25-22(20)29-23(19)27-26-17/h9-12,18H,3-8H2,1-2H3,(H2,24,25)(H,26,27)
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n/an/a 6n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...

Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50052215
PNG
(CHEMBL3318403)
Show SMILES [Cl-].COc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1
Show InChI InChI=1S/C22H18N2O2.ClH/c1-26-18-6-4-5-17(13-18)15-24-11-9-16(10-12-24)14-20-19-7-2-3-8-21(19)23-22(20)25;/h2-14H,15H2,1H3;1H
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n/an/a 6.60n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry

Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204851
PNG
(CHEMBL3947445)
Show SMILES COc1ccc(cc1)C1c2c(Oc3cc4CCCCc4c(N)c13)[nH]nc2-c1ccccc1
Show InChI InChI=1S/C27H25N3O2/c1-31-19-13-11-16(12-14-19)22-23-21(15-18-9-5-6-10-20(18)25(23)28)32-27-24(22)26(29-30-27)17-7-3-2-4-8-17/h2-4,7-8,11-15,22H,5-6,9-10,28H2,1H3,(H,29,30)
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n/an/a 7n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...

Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204859
PNG
(CHEMBL3939483)
Show SMILES Nc1c2CCCCc2cc2Oc3[nH]nc(c3C(c3ccc(F)cc3)c12)-c1ccccc1
Show InChI InChI=1S/C26H22FN3O/c27-18-12-10-15(11-13-18)21-22-20(14-17-8-4-5-9-19(17)24(22)28)31-26-23(21)25(29-30-26)16-6-2-1-3-7-16/h1-3,6-7,10-14,21H,4-5,8-9,28H2,(H,29,30)
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n/an/a 7n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...

Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204852
PNG
(CHEMBL3982934)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(SC)cc1
Show InChI InChI=1S/C23H26N4OS/c1-3-6-17-19-18(13-9-11-14(29-2)12-10-13)20-21(24)15-7-4-5-8-16(15)25-22(20)28-23(19)27-26-17/h9-12,18H,3-8H2,1-2H3,(H2,24,25)(H,26,27)
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n/an/a 8n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...

Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204906
PNG
(CHEMBL3911514)
Show SMILES Nc1c2CCCCc2cc2Oc3[nH]nc(c3C(c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C26H23N3O/c27-24-19-14-8-7-13-18(19)15-20-22(24)21(16-9-3-1-4-10-16)23-25(28-29-26(23)30-20)17-11-5-2-6-12-17/h1-6,9-12,15,21H,7-8,13-14,27H2,(H,28,29)
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n/an/a 8n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...

Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204911
PNG
(CHEMBL3957246)
Show SMILES Nc1c2CCCCCc2nc2Oc3[nH]nc(c3C(c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C26H24N4O/c27-23-18-14-8-3-9-15-19(18)28-25-21(23)20(16-10-4-1-5-11-16)22-24(29-30-26(22)31-25)17-12-6-2-7-13-17/h1-2,4-7,10-13,20H,3,8-9,14-15H2,(H2,27,28)(H,29,30)
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n/an/a 9n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...

Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204850
PNG
(CHEMBL3927562)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClN4O/c1-2-5-16-18-17(12-8-10-13(23)11-9-12)19-20(24)14-6-3-4-7-15(14)25-21(19)28-22(18)27-26-16/h8-11,17H,2-7H2,1H3,(H2,24,25)(H,26,27)
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n/an/a 10n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...

Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50052213
PNG
(CHEMBL3318401)
Show SMILES [Cl-].Brc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1
Show InChI InChI=1S/C21H15BrN2O/c22-17-5-3-4-16(12-17)14-24-10-8-15(9-11-24)13-19-18-6-1-2-7-20(18)23-21(19)25/h1-13H,14H2/p+1
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n/an/a 10n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry

Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50204905
PNG
(CHEMBL3984536)
Show SMILES Cc1ccc(cc1)C1c2c(Oc3cc4CCCCc4c(N)c13)[nH]nc2-c1ccccc1
Show InChI InChI=1S/C27H25N3O/c1-16-11-13-17(14-12-16)22-23-21(15-19-9-5-6-10-20(19)25(23)28)31-27-24(22)26(29-30-27)18-7-3-2-4-8-18/h2-4,7-8,11-15,22H,5-6,9-10,28H2,1H3,(H,29,30)
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n/an/a 11n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...

Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
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 12n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...

Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cholinesterase


(Homo sapiens (Human))		BDBM50204840
PNG
(CHEMBL3918773)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H23N5O3/c1-2-6-16-18-17(12-7-5-8-13(11-12)27(28)29)19-20(23)14-9-3-4-10-15(14)24-21(19)30-22(18)26-25-16/h5,7-8,11,17H,2-4,6,9-10H2,1H3,(H2,23,24)(H,25,26)
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n/an/a 12n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...

Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50440444
PNG
(CHEMBL2425856)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4ccc5OCOc5c4)c12)c(=O)oc1ccccc31
Show InChI InChI=1S/C26H20N2O5/c27-23-14-5-1-3-7-16(14)28-25-21(23)20(13-9-10-18-19(11-13)31-12-30-18)22-24(33-25)15-6-2-4-8-17(15)32-26(22)29/h2,4,6,8-11,20H,1,3,5,7,12H2,(H2,27,28)
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n/an/a 13n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 68: 291-300 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.045
BindingDB Entry DOI: 10.7270/Q2794637
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 13n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 ...

Eur J Med Chem 139: 280-289 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.072
BindingDB Entry DOI: 10.7270/Q2SX6GVB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cholinesterase


(Homo sapiens (Human))		BDBM50204910
PNG
(CHEMBL3958499)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(C)cc1
Show InChI InChI=1S/C23H26N4O/c1-3-6-17-19-18(14-11-9-13(2)10-12-14)20-21(24)15-7-4-5-8-16(15)25-22(20)28-23(19)27-26-17/h9-12,18H,3-8H2,1-2H3,(H2,24,25)(H,26,27)
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n/an/a 13n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...

Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50052216
PNG
(CHEMBL3318404)
Show SMILES [Cl-].Fc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1
Show InChI InChI=1S/C21H15FN2O.ClH/c22-17-5-3-4-16(12-17)14-24-10-8-15(9-11-24)13-19-18-6-1-2-7-20(18)23-21(19)25;/h1-13H,14H2;1H
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n/an/a 13n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry

Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 2 mins by Ellman's method

Eur J Med Chem 68: 260-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.038
BindingDB Entry DOI: 10.7270/Q2C24XT5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50440448
PNG
(CHEMBL2425852)
Show SMILES Cc1ccc(cc1)C1c2c(Oc3c1c(=O)oc1ccccc31)nc1CCCCc1c2N
Show InChI InChI=1S/C26H22N2O3/c1-14-10-12-15(13-11-14)20-21-23(27)16-6-2-4-8-18(16)28-25(21)31-24-17-7-3-5-9-19(17)30-26(29)22(20)24/h3,5,7,9-13,20H,2,4,6,8H2,1H3,(H2,27,28)
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n/an/a 14n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins prior to substrate addition by Ellman's method

Eur J Med Chem 68: 291-300 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.045
BindingDB Entry DOI: 10.7270/Q2794637
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Yazd University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry

Eur J Med Chem 84: 375-81 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.017
BindingDB Entry DOI: 10.7270/Q2H996T1
More data for this
Ligand-Target Pair
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