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PubMed code 23988412

Compile data set for download or QSAR
Found 39 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))		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))		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))		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
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))		BDBM50440447
PNG
(CHEMBL2425853)
Show SMILES COc1ccc(cc1)C1c2c(N)c3CCCCc3nc2Oc2c1c(=O)oc1ccccc21
Show InChI InChI=1S/C26H22N2O4/c1-30-15-12-10-14(11-13-15)20-21-23(27)16-6-2-4-8-18(16)28-25(21)32-24-17-7-3-5-9-19(17)31-26(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 16n/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))		BDBM50440455
PNG
(CHEMBL2425844)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4ccccc4)c12)c(=O)oc1ccccc31
Show InChI InChI=1S/C25H20N2O3/c26-22-15-10-4-6-12-17(15)27-24-20(22)19(14-8-2-1-3-9-14)21-23(30-24)16-11-5-7-13-18(16)29-25(21)28/h1-3,5,7-9,11,13,19H,4,6,10,12H2,(H2,26,27)
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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 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 32n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine 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		3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50440453
PNG
(CHEMBL2425847)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4ccccc4Cl)c12)c(=O)oc1ccccc31
Show InChI InChI=1S/C25H19ClN2O3/c26-16-10-4-1-7-13(16)19-20-22(27)14-8-2-5-11-17(14)28-24(20)31-23-15-9-3-6-12-18(15)30-25(29)21(19)23/h1,3-4,6-7,9-10,12,19H,2,5,8,11H2,(H2,27,28)
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n/an/a 35n/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))		BDBM50440446
PNG
(CHEMBL2425854)
Show SMILES COc1ccc(cc1OC)C1c2c(N)c3CCCCc3nc2Oc2c1c(=O)oc1ccccc21
Show InChI InChI=1S/C27H24N2O5/c1-31-19-12-11-14(13-20(19)32-2)21-22-24(28)15-7-3-5-9-17(15)29-26(22)34-25-16-8-4-6-10-18(16)33-27(30)23(21)25/h4,6,8,10-13,21H,3,5,7,9H2,1-2H3,(H2,28,29)
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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 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))		BDBM50440450
PNG
(CHEMBL2425850)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4ccc(Cl)cc4Cl)c12)c(=O)oc1ccccc31
Show InChI InChI=1S/C25H18Cl2N2O3/c26-12-9-10-13(16(27)11-12)19-20-22(28)14-5-1-3-7-17(14)29-24(20)32-23-15-6-2-4-8-18(15)31-25(30)21(19)23/h2,4,6,8-11,19H,1,3,5,7H2,(H2,28,29)
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n/an/a 50n/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))		BDBM50440443
PNG
(CHEMBL2425857)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4ccncc4)c12)c(=O)oc1ccccc31
Show InChI InChI=1S/C24H19N3O3/c25-21-14-5-1-3-7-16(14)27-23-19(21)18(13-9-11-26-12-10-13)20-22(30-23)15-6-2-4-8-17(15)29-24(20)28/h2,4,6,8-12,18H,1,3,5,7H2,(H2,25,27)
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n/an/a 53n/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))		BDBM50440456
PNG
(CHEMBL2425843)
Show SMILES CCCCC1c2c(N)c3CCCCc3nc2Oc2c1c(=O)oc1ccccc21
Show InChI InChI=1S/C23H24N2O3/c1-2-3-8-15-18-20(24)13-9-4-6-11-16(13)25-22(18)28-21-14-10-5-7-12-17(14)27-23(26)19(15)21/h5,7,10,12,15H,2-4,6,8-9,11H2,1H3,(H2,24,25)
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n/an/a 57n/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))		BDBM50440454
PNG
(CHEMBL2425845)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4cccc(F)c4)c12)c(=O)oc1ccccc31
Show InChI InChI=1S/C25H19FN2O3/c26-14-7-5-6-13(12-14)19-20-22(27)15-8-1-3-10-17(15)28-24(20)31-23-16-9-2-4-11-18(16)30-25(29)21(19)23/h2,4-7,9,11-12,19H,1,3,8,10H2,(H2,27,28)
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n/an/a 67n/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))		BDBM50440445
PNG
(CHEMBL2425855)
Show SMILES COc1cc(cc(OC)c1OC)C1c2c(N)c3CCCCc3nc2Oc2c1c(=O)oc1ccccc21
Show InChI InChI=1S/C28H26N2O6/c1-32-19-12-14(13-20(33-2)26(19)34-3)21-22-24(29)15-8-4-6-10-17(15)30-27(22)36-25-16-9-5-7-11-18(16)35-28(31)23(21)25/h5,7,9,11-13,21H,4,6,8,10H2,1-3H3,(H2,29,30)
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n/an/a 69n/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))		BDBM50440442
PNG
(CHEMBL2425858)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4cccs4)c12)c(=O)oc1ccccc31
Show InChI InChI=1S/C23H18N2O3S/c24-20-12-6-1-3-8-14(12)25-22-18(20)17(16-10-5-11-29-16)19-21(28-22)13-7-2-4-9-15(13)27-23(19)26/h2,4-5,7,9-11,17H,1,3,6,8H2,(H2,24,25)
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n/an/a 84n/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))		BDBM50440451
PNG
(CHEMBL2425849)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4ccc(Cl)cc4)c12)c(=O)oc1ccccc31
Show InChI InChI=1S/C25H19ClN2O3/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 93n/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))		BDBM50440449
PNG
(CHEMBL2425851)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4cccc(c4)[N+]([O-])=O)c12)c(=O)oc1ccccc31
Show InChI InChI=1S/C25H19N3O5/c26-22-15-8-1-3-10-17(15)27-24-20(22)19(13-6-5-7-14(12-13)28(30)31)21-23(33-24)16-9-2-4-11-18(16)32-25(21)29/h2,4-7,9,11-12,19H,1,3,8,10H2,(H2,26,27)
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n/an/a 141n/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))		BDBM50440457
PNG
(CHEMBL2425842)
Show SMILES CCC1c2c(N)c3CCCCc3nc2Oc2c1c(=O)oc1ccccc21
Show InChI InChI=1S/C21H20N2O3/c1-2-11-16-18(22)12-7-3-5-9-14(12)23-20(16)26-19-13-8-4-6-10-15(13)25-21(24)17(11)19/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H2,22,23)
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n/an/a 266n/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))		BDBM50440452
PNG
(CHEMBL2425848)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4cccc(Cl)c4)c12)c(=O)oc1ccccc31
Show InChI InChI=1S/C25H19ClN2O3/c26-14-7-5-6-13(12-14)19-20-22(27)15-8-1-3-10-17(15)28-24(20)31-23-16-9-2-4-11-18(16)30-25(29)21(19)23/h2,4-7,9,11-12,19H,1,3,8,10H2,(H2,27,28)
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n/an/a 288n/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))		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 410n/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))		BDBM50440458
PNG
(CHEMBL2425859)
Show SMILES CC1c2c(Oc3c1c(=O)oc1ccccc31)nc1CCCCc1c2N
Show InChI InChI=1S/C20H18N2O3/c1-10-15-17(21)11-6-2-4-8-13(11)22-19(15)25-18-12-7-3-5-9-14(12)24-20(23)16(10)18/h3,5,7,9-10H,2,4,6,8H2,1H3,(H2,21,22)
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n/an/a 432n/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))		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 570n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine 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))		BDBM50440447
PNG
(CHEMBL2425853)
Show SMILES COc1ccc(cc1)C1c2c(N)c3CCCCc3nc2Oc2c1c(=O)oc1ccccc21
Show InChI InChI=1S/C26H22N2O4/c1-30-15-12-10-14(11-13-15)20-21-23(27)16-6-2-4-8-18(16)28-25(21)32-24-17-7-3-5-9-19(17)31-26(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 840n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine 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))		BDBM50440454
PNG
(CHEMBL2425845)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4cccc(F)c4)c12)c(=O)oc1ccccc31
Show InChI InChI=1S/C25H19FN2O3/c26-14-7-5-6-13(12-14)19-20-22(27)15-8-1-3-10-17(15)28-24(20)31-23-16-9-2-4-11-18(16)30-25(29)21(19)23/h2,4-7,9,11-12,19H,1,3,8,10H2,(H2,27,28)
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n/an/a 890n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine 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))		BDBM50440458
PNG
(CHEMBL2425859)
Show SMILES CC1c2c(Oc3c1c(=O)oc1ccccc31)nc1CCCCc1c2N
Show InChI InChI=1S/C20H18N2O3/c1-10-15-17(21)11-6-2-4-8-13(11)22-19(15)25-18-12-7-3-5-9-14(12)24-20(23)16(10)18/h3,5,7,9-10H,2,4,6,8H2,1H3,(H2,21,22)
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n/an/a 1.22E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine 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))		BDBM50440455
PNG
(CHEMBL2425844)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4ccccc4)c12)c(=O)oc1ccccc31
Show InChI InChI=1S/C25H20N2O3/c26-22-15-10-4-6-12-17(15)27-24-20(22)19(14-8-2-1-3-9-14)21-23(30-24)16-11-5-7-13-18(16)29-25(21)28/h1-3,5,7-9,11,13,19H,4,6,10,12H2,(H2,26,27)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine 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))		BDBM50440446
PNG
(CHEMBL2425854)
Show SMILES COc1ccc(cc1OC)C1c2c(N)c3CCCCc3nc2Oc2c1c(=O)oc1ccccc21
Show InChI InChI=1S/C27H24N2O5/c1-31-19-12-11-14(13-20(19)32-2)21-22-24(28)15-7-3-5-9-17(15)29-26(22)34-25-16-8-4-6-10-18(16)33-27(30)23(21)25/h4,6,8,10-13,21H,3,5,7,9H2,1-2H3,(H2,28,29)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine 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))		BDBM50440445
PNG
(CHEMBL2425855)
Show SMILES COc1cc(cc(OC)c1OC)C1c2c(N)c3CCCCc3nc2Oc2c1c(=O)oc1ccccc21
Show InChI InChI=1S/C28H26N2O6/c1-32-19-12-14(13-20(33-2)26(19)34-3)21-22-24(29)15-8-4-6-10-17(15)30-27(22)36-25-16-9-5-7-11-18(16)35-28(31)23(21)25/h5,7,9,11-13,21H,4,6,8,10H2,1-3H3,(H2,29,30)
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n/an/a 3.26E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine 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))		BDBM50440453
PNG
(CHEMBL2425847)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4ccccc4Cl)c12)c(=O)oc1ccccc31
Show InChI InChI=1S/C25H19ClN2O3/c26-16-10-4-1-7-13(16)19-20-22(27)14-8-2-5-11-17(14)28-24(20)31-23-15-9-3-6-12-18(15)30-25(29)21(19)23/h1,3-4,6-7,9-10,12,19H,2,5,8,11H2,(H2,27,28)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine 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))		BDBM50440457
PNG
(CHEMBL2425842)
Show SMILES CCC1c2c(N)c3CCCCc3nc2Oc2c1c(=O)oc1ccccc21
Show InChI InChI=1S/C21H20N2O3/c1-2-11-16-18(22)12-7-3-5-9-14(12)23-20(16)26-19-13-8-4-6-10-15(13)25-21(24)17(11)19/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H2,22,23)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine 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))		BDBM50440442
PNG
(CHEMBL2425858)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4cccs4)c12)c(=O)oc1ccccc31
Show InChI InChI=1S/C23H18N2O3S/c24-20-12-6-1-3-8-14(12)25-22-18(20)17(16-10-5-11-29-16)19-21(28-22)13-7-2-4-9-15(13)27-23(19)26/h2,4-5,7,9-11,17H,1,3,6,8H2,(H2,24,25)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine 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))		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 1.57E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine 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))		BDBM50440449
PNG
(CHEMBL2425851)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4cccc(c4)[N+]([O-])=O)c12)c(=O)oc1ccccc31
Show InChI InChI=1S/C25H19N3O5/c26-22-15-8-1-3-10-17(15)27-24-20(22)19(13-6-5-7-14(12-13)28(30)31)21-23(33-24)16-9-2-4-11-18(16)32-25(21)29/h2,4-7,9,11-12,19H,1,3,8,10H2,(H2,26,27)
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n/an/a 1.83E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine 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))		BDBM50440456
PNG
(CHEMBL2425843)
Show SMILES CCCCC1c2c(N)c3CCCCc3nc2Oc2c1c(=O)oc1ccccc21
Show InChI InChI=1S/C23H24N2O3/c1-2-3-8-15-18-20(24)13-9-4-6-11-16(13)25-22(18)28-21-14-10-5-7-12-17(14)27-23(26)19(15)21/h5,7,10,12,15H,2-4,6,8-9,11H2,1H3,(H2,24,25)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine 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))		BDBM50440443
PNG
(CHEMBL2425857)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4ccncc4)c12)c(=O)oc1ccccc31
Show InChI InChI=1S/C24H19N3O3/c25-21-14-5-1-3-7-16(14)27-23-19(21)18(13-9-11-26-12-10-13)20-22(30-23)15-6-2-4-8-17(15)29-24(20)28/h2,4,6,8-12,18H,1,3,5,7H2,(H2,25,27)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine 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))		BDBM50440450
PNG
(CHEMBL2425850)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4ccc(Cl)cc4Cl)c12)c(=O)oc1ccccc31
Show InChI InChI=1S/C25H18Cl2N2O3/c26-12-9-10-13(16(27)11-12)19-20-22(28)14-5-1-3-7-17(14)29-24(20)32-23-15-6-2-4-8-18(15)31-25(30)21(19)23/h2,4,6,8-11,19H,1,3,5,7H2,(H2,28,29)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine 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))		BDBM50440452
PNG
(CHEMBL2425848)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4cccc(Cl)c4)c12)c(=O)oc1ccccc31
Show InChI InChI=1S/C25H19ClN2O3/c26-14-7-5-6-13(12-14)19-20-22(27)15-8-1-3-10-17(15)28-24(20)31-23-16-9-2-4-11-18(16)30-25(29)21(19)23/h2,4-7,9,11-12,19H,1,3,8,10H2,(H2,27,28)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine 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))		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>3.00E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine 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))		BDBM50440451
PNG
(CHEMBL2425849)
Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4ccc(Cl)cc4)c12)c(=O)oc1ccccc31
Show InChI InChI=1S/C25H19ClN2O3/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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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine 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
* indicates data uncertainty>20%