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PubMed code 27484515

Compile data set for download or QSAR
Found 61 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))		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
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
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
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))		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))		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
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
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
Cholinesterase


(Homo sapiens (Human))		BDBM50204841
PNG
(CHEMBL3955170)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1cccc(Br)c1
Show InChI InChI=1S/C22H23BrN4O/c1-2-6-16-18-17(12-7-5-8-13(23)11-12)19-20(24)14-9-3-4-10-15(14)25-21(19)28-22(18)27-26-16/h5,7-8,11,17H,2-4,6,9-10H2,1H3,(H2,24,25)(H,26,27)
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n/an/a 15n/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))		BDBM50204849
PNG
(CHEMBL3912680)
Show SMILES Nc1c2CCCCc2nc2Oc3[nH]nc(-c4ccco4)c3C(c3ccccc3)c12
Show InChI InChI=1S/C23H20N4O2/c24-20-14-9-4-5-10-15(14)25-22-18(20)17(13-7-2-1-3-8-13)19-21(16-11-6-12-28-16)26-27-23(19)29-22/h1-3,6-8,11-12,17H,4-5,9-10H2,(H2,24,25)(H,26,27)
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n/an/a 15n/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))		BDBM50204848
PNG
(CHEMBL3902506)
Show SMILES CCCc1n[nH]c2Oc3nc4CCSCc4c(N)c3C(c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClN4OS/c1-2-3-15-17-16(11-4-6-12(22)7-5-11)18-19(23)13-10-28-9-8-14(13)24-20(18)27-21(17)26-25-15/h4-7,16H,2-3,8-10H2,1H3,(H2,23,24)(H,25,26)
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n/an/a 15n/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))		BDBM50204846
PNG
(CHEMBL3985651)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccccc1OC
Show InChI InChI=1S/C23H26N4O2/c1-3-8-16-19-18(14-10-5-7-12-17(14)28-2)20-21(24)13-9-4-6-11-15(13)25-22(20)29-23(19)27-26-16/h5,7,10,12,18H,3-4,6,8-9,11H2,1-2H3,(H2,24,25)(H,26,27)
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n/an/a 18n/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))		BDBM50204845
PNG
(CHEMBL3955914)
Show SMILES Nc1c2CCCCc2cc2Oc3[nH]nc(c3C(c3ccc(Cl)cc3)c12)-c1ccccc1
Show InChI InChI=1S/C26H22ClN3O/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 21n/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))		BDBM50204860
PNG
(CHEMBL3948260)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C24H29N5O/c1-4-7-18-20-19(14-10-12-15(13-11-14)29(2)3)21-22(25)16-8-5-6-9-17(16)26-23(21)30-24(20)28-27-18/h10-13,19H,4-9H2,1-3H3,(H2,25,26)(H,27,28)
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n/an/a 24n/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))		BDBM50204907
PNG
(CHEMBL3986738)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H23N5O3/c1-2-5-16-18-17(12-8-10-13(11-9-12)27(28)29)19-20(23)14-6-3-4-7-15(14)24-21(19)30-22(18)26-25-16/h8-11,17H,2-7H2,1H3,(H2,23,24)(H,25,26)
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n/an/a 29n/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))		BDBM50204843
PNG
(CHEMBL3940675)
Show SMILES Nc1c2CSCCc2nc2Oc3[nH]nc(c3C(c3ccc(Cl)cc3)c12)-c1ccccc1
Show InChI InChI=1S/C24H19ClN4OS/c25-15-8-6-13(7-9-15)18-19-21(26)16-12-31-11-10-17(16)27-23(19)30-24-20(18)22(28-29-24)14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H2,26,27)(H,28,29)
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n/an/a 30n/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))		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 34n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		BDBM50204839
PNG
(CHEMBL3909837)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H23N5O/c1-2-5-17-19-18(14-10-8-13(12-24)9-11-14)20-21(25)15-6-3-4-7-16(15)26-22(20)29-23(19)28-27-17/h8-11,18H,2-7H2,1H3,(H2,25,26)(H,27,28)
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n/an/a 37n/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))		BDBM50204856
PNG
(CHEMBL3920448)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H30N4O4/c1-5-8-16-20-19(13-11-17(30-2)23(32-4)18(12-13)31-3)21-22(26)14-9-6-7-10-15(14)27-24(21)33-25(20)29-28-16/h11-12,19H,5-10H2,1-4H3,(H2,26,27)(H,28,29)
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n/an/a 42n/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))		BDBM50204854
PNG
(CHEMBL3929352)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCCc4c(N)c3C(c12)c1ccccc1
Show InChI InChI=1S/C23H26N4O/c1-2-9-17-19-18(14-10-5-3-6-11-14)20-21(24)15-12-7-4-8-13-16(15)25-22(20)28-23(19)27-26-17/h3,5-6,10-11,18H,2,4,7-9,12-13H2,1H3,(H2,24,25)(H,26,27)
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n/an/a 43n/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))		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 52n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		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 54n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		BDBM50204908
PNG
(CHEMBL3903664)
Show SMILES COc1cc(cc(OC)c1OC)C1c2c(Oc3nc4CCCCc4c(N)c13)[nH]nc2-c1ccccc1
Show InChI InChI=1S/C28H28N4O4/c1-33-19-13-16(14-20(34-2)26(19)35-3)21-22-24(29)17-11-7-8-12-18(17)30-27(22)36-28-23(21)25(31-32-28)15-9-5-4-6-10-15/h4-6,9-10,13-14,21H,7-8,11-12H2,1-3H3,(H2,29,30)(H,31,32)
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n/an/a 65n/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))		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 72n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		BDBM50204909
PNG
(CHEMBL3930499)
Show SMILES CCCc1n[nH]c2Oc3nc4CCSCc4c(N)c3C(c12)c1ccc(C)cc1
Show InChI InChI=1S/C22H24N4OS/c1-3-4-16-18-17(13-7-5-12(2)6-8-13)19-20(23)14-11-28-10-9-15(14)24-21(19)27-22(18)26-25-16/h5-8,17H,3-4,9-11H2,1-2H3,(H2,23,24)(H,25,26)
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n/an/a 73n/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))		BDBM50204858
PNG
(CHEMBL3956922)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCCc4c(N)c3C(c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClN4O/c1-2-6-17-19-18(13-9-11-14(24)12-10-13)20-21(25)15-7-4-3-5-8-16(15)26-22(20)29-23(19)28-27-17/h9-12,18H,2-8H2,1H3,(H2,25,26)(H,27,28)
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n/an/a 75n/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))		BDBM50204853
PNG
(CHEMBL3985053)
Show SMILES Nc1c2CCCCCc2nc2Oc3[nH]nc(c3C(c3ccc(Cl)cc3)c12)-c1ccccc1
Show InChI InChI=1S/C26H23ClN4O/c27-17-13-11-15(12-14-17)20-21-23(28)18-9-5-2-6-10-19(18)29-25(21)32-26-22(20)24(30-31-26)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,20H,2,5-6,9-10H2,(H2,28,29)(H,30,31)
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n/an/a 77n/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))		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 81n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		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 98n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		BDBM50204849
PNG
(CHEMBL3912680)
Show SMILES Nc1c2CCCCc2nc2Oc3[nH]nc(-c4ccco4)c3C(c3ccccc3)c12
Show InChI InChI=1S/C23H20N4O2/c24-20-14-9-4-5-10-15(14)25-22-18(20)17(13-7-2-1-3-8-13)19-21(16-11-6-12-28-16)26-27-23(19)29-22/h1-3,6-8,11-12,17H,4-5,9-10H2,(H2,24,25)(H,26,27)
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Tehran University of Medical Sciences

Curated by ChEMBL


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

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))		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 120n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		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 140n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		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 200n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		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 201n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		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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Tehran University of Medical Sciences

Curated by ChEMBL


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

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))		BDBM50204845
PNG
(CHEMBL3955914)
Show SMILES Nc1c2CCCCc2cc2Oc3[nH]nc(c3C(c3ccc(Cl)cc3)c12)-c1ccccc1
Show InChI InChI=1S/C26H22ClN3O/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 260n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		BDBM50204848
PNG
(CHEMBL3902506)
Show SMILES CCCc1n[nH]c2Oc3nc4CCSCc4c(N)c3C(c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClN4OS/c1-2-3-15-17-16(11-4-6-12(22)7-5-11)18-19(23)13-10-28-9-8-14(13)24-20(18)27-21(17)26-25-15/h4-7,16H,2-3,8-10H2,1H3,(H2,23,24)(H,25,26)
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n/an/a 300n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		BDBM50204860
PNG
(CHEMBL3948260)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C24H29N5O/c1-4-7-18-20-19(14-10-12-15(13-11-14)29(2)3)21-22(25)16-8-5-6-9-17(16)26-23(21)30-24(20)28-27-18/h10-13,19H,4-9H2,1-3H3,(H2,25,26)(H,27,28)
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n/an/a 347n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		BDBM50204844
PNG
(CHEMBL3954267)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C24H28N4O3/c1-4-7-16-20-19(13-10-11-17(29-2)18(12-13)30-3)21-22(25)14-8-5-6-9-15(14)26-23(21)31-24(20)28-27-16/h10-12,19H,4-9H2,1-3H3,(H2,25,26)(H,27,28)
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n/an/a 365n/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))		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 423n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		BDBM50204843
PNG
(CHEMBL3940675)
Show SMILES Nc1c2CSCCc2nc2Oc3[nH]nc(c3C(c3ccc(Cl)cc3)c12)-c1ccccc1
Show InChI InChI=1S/C24H19ClN4OS/c25-15-8-6-13(7-9-15)18-19-21(26)16-12-31-11-10-17(16)27-23(19)30-24-20(18)22(28-29-24)14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H2,26,27)(H,28,29)
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n/an/a 450n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		BDBM50204846
PNG
(CHEMBL3985651)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccccc1OC
Show InChI InChI=1S/C23H26N4O2/c1-3-8-16-19-18(14-10-5-7-12-17(14)28-2)20-21(24)13-9-4-6-11-15(13)25-22(20)29-23(19)27-26-16/h5,7,10,12,18H,3-4,6,8-9,11H2,1-2H3,(H2,24,25)(H,26,27)
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n/an/a 471n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		BDBM50204841
PNG
(CHEMBL3955170)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1cccc(Br)c1
Show InChI InChI=1S/C22H23BrN4O/c1-2-6-16-18-17(12-7-5-8-13(23)11-12)19-20(24)14-9-3-4-10-15(14)25-21(19)28-22(18)27-26-16/h5,7-8,11,17H,2-4,6,9-10H2,1H3,(H2,24,25)(H,26,27)
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n/an/a 472n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		BDBM50204857
PNG
(CHEMBL3922713)
Show SMILES CC(C)C1c2c(Oc3nc4CCCCc4c(N)c13)[nH]nc2-c1ccccc1
Show InChI InChI=1S/C22H24N4O/c1-12(2)16-17-19(23)14-10-6-7-11-15(14)24-21(17)27-22-18(16)20(25-26-22)13-8-4-3-5-9-13/h3-5,8-9,12,16H,6-7,10-11H2,1-2H3,(H2,23,24)(H,25,26)
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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))		BDBM50204854
PNG
(CHEMBL3929352)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCCc4c(N)c3C(c12)c1ccccc1
Show InChI InChI=1S/C23H26N4O/c1-2-9-17-19-18(14-10-5-3-6-11-14)20-21(24)15-12-7-4-8-13-16(15)25-22(20)28-23(19)27-26-17/h3,5-6,10-11,18H,2,4,7-9,12-13H2,1H3,(H2,24,25)(H,26,27)
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n/an/a 650n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		BDBM50204907
PNG
(CHEMBL3986738)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H23N5O3/c1-2-5-16-18-17(12-8-10-13(11-9-12)27(28)29)19-20(23)14-6-3-4-7-15(14)24-21(19)30-22(18)26-25-16/h8-11,17H,2-7H2,1H3,(H2,23,24)(H,25,26)
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n/an/a 744n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		BDBM50204856
PNG
(CHEMBL3920448)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H30N4O4/c1-5-8-16-20-19(13-11-17(30-2)23(32-4)18(12-13)31-3)21-22(26)14-9-6-7-10-15(14)27-24(21)33-25(20)29-28-16/h11-12,19H,5-10H2,1-4H3,(H2,26,27)(H,28,29)
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n/an/a 900n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		BDBM50204839
PNG
(CHEMBL3909837)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H23N5O/c1-2-5-17-19-18(14-10-8-13(12-24)9-11-14)20-21(25)15-6-3-4-7-16(15)26-22(20)29-23(19)28-27-17/h8-11,18H,2-7H2,1H3,(H2,25,26)(H,27,28)
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n/an/a 954n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		BDBM50204908
PNG
(CHEMBL3903664)
Show SMILES COc1cc(cc(OC)c1OC)C1c2c(Oc3nc4CCCCc4c(N)c13)[nH]nc2-c1ccccc1
Show InChI InChI=1S/C28H28N4O4/c1-33-19-13-16(14-20(34-2)26(19)35-3)21-22-24(29)17-11-7-8-12-18(17)30-27(22)36-28-23(21)25(31-32-28)15-9-5-4-6-10-15/h4-6,9-10,13-14,21H,7-8,11-12H2,1-3H3,(H2,29,30)(H,31,32)
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n/an/a 1.03E+3n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		BDBM50204909
PNG
(CHEMBL3930499)
Show SMILES CCCc1n[nH]c2Oc3nc4CCSCc4c(N)c3C(c12)c1ccc(C)cc1
Show InChI InChI=1S/C22H24N4OS/c1-3-4-16-18-17(13-7-5-12(2)6-8-13)19-20(23)14-11-28-10-9-15(14)24-21(19)27-22(18)26-25-16/h5-8,17H,3-4,9-11H2,1-2H3,(H2,23,24)(H,25,26)
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n/an/a 1.03E+3n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		BDBM50204858
PNG
(CHEMBL3956922)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCCc4c(N)c3C(c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClN4O/c1-2-6-17-19-18(13-9-11-14(24)12-10-13)20-21(25)15-7-4-3-5-8-16(15)26-22(20)29-23(19)28-27-17/h9-12,18H,2-8H2,1H3,(H2,25,26)(H,27,28)
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n/an/a 1.06E+3n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		BDBM50204844
PNG
(CHEMBL3954267)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C24H28N4O3/c1-4-7-16-20-19(13-10-11-17(29-2)18(12-13)30-3)21-22(25)14-8-5-6-9-15(14)26-23(21)31-24(20)28-27-16/h10-12,19H,4-9H2,1-3H3,(H2,25,26)(H,27,28)
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n/an/a 1.47E+3n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		BDBM50204853
PNG
(CHEMBL3985053)
Show SMILES Nc1c2CCCCCc2nc2Oc3[nH]nc(c3C(c3ccc(Cl)cc3)c12)-c1ccccc1
Show InChI InChI=1S/C26H23ClN4O/c27-17-13-11-15(12-14-17)20-21-23(28)18-9-5-2-6-10-19(18)29-25(21)32-26-22(20)24(30-31-26)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,20H,2,5-6,9-10H2,(H2,28,29)(H,30,31)
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n/an/a 1.92E+3n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		BDBM50204857
PNG
(CHEMBL3922713)
Show SMILES CC(C)C1c2c(Oc3nc4CCCCc4c(N)c13)[nH]nc2-c1ccccc1
Show InChI InChI=1S/C22H24N4O/c1-12(2)16-17-19(23)14-10-6-7-11-15(14)24-21(17)27-22-18(16)20(25-26-22)13-8-4-3-5-9-13/h3-5,8-9,12,16H,6-7,10-11H2,1-2H3,(H2,23,24)(H,25,26)
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n/an/a 1.50E+4n/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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		BDBM50204855
PNG
(CHEMBL3920929)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4ccccc4)c12)c(nn3-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H26N4O/c32-28-23-18-10-11-19-24(23)33-30-26(28)25(20-12-4-1-5-13-20)27-29(21-14-6-2-7-15-21)34-35(31(27)36-30)22-16-8-3-9-17-22/h1-9,12-17,25H,10-11,18-19H2,(H2,32,33)
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n/an/a>2.00E+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 incubated for 5 mins followed by substrate addition measured for 1 min by...

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))		BDBM50204855
PNG
(CHEMBL3920929)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4ccccc4)c12)c(nn3-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H26N4O/c32-28-23-18-10-11-19-24(23)33-30-26(28)25(20-12-4-1-5-13-20)27-29(21-14-6-2-7-15-21)34-35(31(27)36-30)22-16-8-3-9-17-22/h1-9,12-17,25H,10-11,18-19H2,(H2,32,33)
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n/an/a>2.00E+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
* indicates data uncertainty>20%