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PubMed code 26107513

Compile data set for download or QSAR
Found 172 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))		BDBM50093085
PNG
(CHEMBL3586582)
Show SMILES CN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C25H31NO3/c1-19-20(2)25(27)29-24-17-22(13-14-23(19)24)28-16-10-5-4-9-15-26(3)18-21-11-7-6-8-12-21/h6-8,11-14,17H,4-5,9-10,15-16,18H2,1-3H3
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 80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Mixed type inhibition of electric eel AChE by Lineweaver-Burk plot

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093227
PNG
(CHEMBL3586608)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C17H13NO/c1-11-15-4-2-3-13-7-10-16(18(13)15)17(11)12-5-8-14(19)9-6-12/h2-10,19H,1H3
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 100n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Mixed type inhibition of electric eel AChE by Lineweaver-Burk plot

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 4.90n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50093335
PNG
(CHEMBL3586611)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C27H24N2O4.ClH/c1-29(15-20-4-2-19(14-28)3-5-20)16-21-6-8-22(9-7-21)18-32-24-10-11-25-23(17-30)12-27(31)33-26(25)13-24;/h2-13,30H,15-18H2,1H3;1H
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n/an/a 5.70n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50093227
PNG
(CHEMBL3586608)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C17H13NO/c1-11-15-4-2-3-13-7-10-16(18(13)15)17(11)12-5-8-14(19)9-6-12/h2-10,19H,1H3
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n/an/a 10n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		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 15n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50093329
PNG
(CHEMBL3586603)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3cc(C)c(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C27H24N2O3.ClH/c1-19-13-24-11-12-25(14-26(24)32-27(19)30)31-18-23-9-7-22(8-10-23)17-29(2)16-21-5-3-20(15-28)4-6-21;/h3-14H,16-18H2,1-2H3;1H
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n/an/a 17n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50093237
PNG
(CHEMBL3586583)
Show SMILES Cl.CCN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C26H33NO3.ClH/c1-4-27(19-22-12-8-7-9-13-22)16-10-5-6-11-17-29-23-14-15-24-20(2)21(3)26(28)30-25(24)18-23;/h7-9,12-15,18H,4-6,10-11,16-17,19H2,1-3H3;1H
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n/an/a 18n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50093332
PNG
(CHEMBL3586605)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C28H26N2O3.ClH/c1-19-20(2)28(31)33-27-14-25(12-13-26(19)27)32-18-24-10-8-23(9-11-24)17-30(3)16-22-6-4-21(15-29)5-7-22;/h4-14H,16-18H2,1-3H3;1H
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n/an/a 24n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50093233
PNG
(CHEMBL3586610)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C18H15NO2/c1-2-15-17-10-14(21)9-12-5-8-16(19(12)17)18(15)11-3-6-13(20)7-4-11/h3-10,20-21H,2H2,1H3
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n/an/a 24n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50093084
PNG
(CHEMBL3586577)
Show SMILES Cl.Cc1c(C)c(=O)oc2cc(OCCCCCNCc3ccccc3)ccc12
Show InChI InChI=1S/C23H27NO3.ClH/c1-17-18(2)23(25)27-22-15-20(11-12-21(17)22)26-14-8-4-7-13-24-16-19-9-5-3-6-10-19;/h3,5-6,9-12,15,24H,4,7-8,13-14,16H2,1-2H3;1H
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n/an/a 29n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093335
PNG
(CHEMBL3586611)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C27H24N2O4.ClH/c1-29(15-20-4-2-19(14-28)3-5-20)16-21-6-8-22(9-7-21)18-32-24-10-11-25-23(17-30)12-27(31)33-26(25)13-24;/h2-13,30H,15-18H2,1H3;1H
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n/an/a 35n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50093330
PNG
(CHEMBL3586604)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C27H24N2O3.ClH/c1-19-13-27(30)32-26-14-24(11-12-25(19)26)31-18-23-9-7-22(8-10-23)17-29(2)16-21-5-3-20(15-28)4-6-21;/h3-14H,16-18H2,1-2H3;1H
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n/an/a 39n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50093212
PNG
(CHEMBL3586592)
Show SMILES CN(Cc1ccccc1)Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1
Show InChI InChI=1S/C28H42N4O4/c33-25-13-10-24(22-26(25)34)12-15-28(36)32-21-7-19-30-17-5-4-16-29-18-6-20-31-27(35)14-11-23-8-2-1-3-9-23/h1-3,8-10,13,22,29-30,33-34H,4-7,11-12,14-21H2,(H,31,35)(H,32,36)
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n/an/a 41n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50093230
PNG
(CHEMBL3586602)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C18H15NO/c1-2-15-16-8-4-6-13-9-10-17(19(13)16)18(15)12-5-3-7-14(20)11-12/h3-11,20H,2H2,1H3
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n/an/a 45n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50093238
PNG
(CHEMBL3586595)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1
Show InChI InChI=1S/C27H27NO3.ClH/c1-19-20(2)27(29)31-26-15-24(13-14-25(19)26)30-18-23-11-9-22(10-12-23)17-28(3)16-21-7-5-4-6-8-21;/h4-15H,16-18H2,1-3H3;1H
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n/an/a 53n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093085
PNG
(CHEMBL3586582)
Show SMILES CN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C25H31NO3/c1-19-20(2)25(27)29-24-17-22(13-14-23(19)24)28-16-10-5-4-9-15-26(3)18-21-11-7-6-8-12-21/h6-8,11-14,17H,4-5,9-10,15-16,18H2,1-3H3
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n/an/a 95n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50093236
PNG
(CHEMBL3586576)
Show SMILES CN(CCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C16H11NO/c18-14-7-4-11(5-8-14)15-10-13-3-1-2-12-6-9-16(15)17(12)13/h1-10,18H
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n/an/a 96n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093238
PNG
(CHEMBL3586595)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1
Show InChI InChI=1S/C27H27NO3.ClH/c1-19-20(2)27(29)31-26-15-24(13-14-25(19)26)30-18-23-11-9-22(10-12-23)17-28(3)16-21-7-5-4-6-8-21;/h4-15H,16-18H2,1-3H3;1H
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n/an/a 100n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50093237
PNG
(CHEMBL3586583)
Show SMILES Cl.CCN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C26H33NO3.ClH/c1-4-27(19-22-12-8-7-9-13-22)16-10-5-6-11-17-29-23-14-15-24-20(2)21(3)26(28)30-25(24)18-23;/h7-9,12-15,18H,4-6,10-11,16-17,19H2,1-3H3;1H
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n/an/a 115n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093326
PNG
(CHEMBL3586600)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C26H24ClNO3.ClH/c1-18-12-26(29)31-25-14-23(10-11-24(18)25)30-17-20-8-6-19(7-9-20)15-28(2)16-21-4-3-5-22(27)13-21;/h3-14H,15-17H2,1-2H3;1H
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n/an/a 120n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50093227
PNG
(CHEMBL3586608)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C17H13NO/c1-11-15-4-2-3-13-7-10-16(18(13)15)17(11)12-5-8-14(19)9-6-12/h2-10,19H,1H3
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n/an/a 120n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a 130n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50093240
PNG
(CHEMBL3586574)
Show SMILES Cl.CN(CCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C18H15NO/c1-2-15-17-11-14(20)10-13-8-9-16(19(13)17)18(15)12-6-4-3-5-7-12/h3-11,20H,2H2,1H3
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n/an/a 134n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093322
PNG
(CHEMBL3586594)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C26H25NO3.ClH/c1-19-14-26(28)30-25-15-23(12-13-24(19)25)29-18-22-10-8-21(9-11-22)17-27(2)16-20-6-4-3-5-7-20;/h3-15H,16-18H2,1-2H3;1H
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n/an/a 180n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50093085
PNG
(CHEMBL3586582)
Show SMILES CN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C25H31NO3/c1-19-20(2)25(27)29-24-17-22(13-14-23(19)24)28-16-10-5-4-9-15-26(3)18-21-11-7-6-8-12-21/h6-8,11-14,17H,4-5,9-10,15-16,18H2,1-3H3
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n/an/a 191n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093231
PNG
(CHEMBL3586606)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3cc(C#N)c(=O)oc3c2)cc1
Show InChI InChI=1S/C26H22N2O3.ClH/c1-28(16-19-5-3-2-4-6-19)17-20-7-9-21(10-8-20)18-30-24-12-11-22-13-23(15-27)26(29)31-25(22)14-24;/h2-14H,16-18H2,1H3;1H
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n/an/a 200n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093294
PNG
(CHEMBL3586590)
Show SMILES CN(C)Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1
Show InChI InChI=1S/C19H19NO3/c1-20(2)12-14-3-5-15(6-4-14)13-22-17-9-7-16-8-10-19(21)23-18(16)11-17/h3-11H,12-13H2,1-2H3
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n/an/a 240n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093233
PNG
(CHEMBL3586610)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C18H15NO2/c1-2-15-17-10-14(21)9-12-5-8-16(19(12)17)18(15)11-3-6-13(20)7-4-11/h3-10,20-21H,2H2,1H3
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n/an/a 240n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093233
PNG
(CHEMBL3586610)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C18H15NO2/c1-2-15-17-10-14(21)9-12-5-8-16(19(12)17)18(15)11-3-6-13(20)7-4-11/h3-10,20-21H,2H2,1H3
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n/an/a 250n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093295
PNG
(CHEMBL3586593)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3cc(C)c(=O)oc3c2)cc1
Show InChI InChI=1S/C26H25NO3.ClH/c1-19-14-23-12-13-24(15-25(23)30-26(19)28)29-18-22-10-8-21(9-11-22)17-27(2)16-20-6-4-3-5-7-20;/h3-15H,16-18H2,1-2H3;1H
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n/an/a 260n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093230
PNG
(CHEMBL3586602)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C18H15NO/c1-2-15-16-8-4-6-13-9-10-17(19(13)16)18(15)12-5-3-7-14(20)11-12/h3-11,20H,2H2,1H3
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n/an/a 270n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093243
PNG
(CHEMBL3585361)
Show SMILES Cl.CN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C24H28ClNO3.ClH/c1-17-18(2)24(27)29-23-15-21(10-11-22(17)23)28-13-6-4-5-12-26(3)16-19-8-7-9-20(25)14-19;/h7-11,14-15H,4-6,12-13,16H2,1-3H3;1H
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n/an/a 290n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50093084
PNG
(CHEMBL3586577)
Show SMILES Cl.Cc1c(C)c(=O)oc2cc(OCCCCCNCc3ccccc3)ccc12
Show InChI InChI=1S/C23H27NO3.ClH/c1-17-18(2)23(25)27-22-15-20(11-12-21(17)22)26-14-8-4-7-13-24-16-19-9-5-3-6-10-19;/h3,5-6,9-12,15,24H,4,7-8,13-14,16H2,1-2H3;1H
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n/an/a 300n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093250
PNG
(CHEMBL3586589)
Show SMILES Cl.CN(Cc1cccc(Cl)c1)Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C30H48N10O24P4S4/c31-23-19-24(34-14-33-23)40(27-22(43)21(42)17(62-27)13-60-68(53,54)64-66(48,49)50)30(35-19)70-6-10-72(57,58)8-4-2-1-3-7-71(55,56)9-5-69-29-36-20-25(37-28(32)38-26(20)44)39(29)18-11-15(41)16(61-18)12-59-67(51,52)63-65(45,46)47/h14-18,21-22,27,41-43H,1-13H2,(H,51,52)(H,53,54)(H2,31,33,34)(H2,45,46,47)(H2,48,49,50)(H3,32,37,38,44)/t15?,16-,17?,18?,21?,22?,27?/m1/s1
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n/an/a 310n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093237
PNG
(CHEMBL3586583)
Show SMILES Cl.CCN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C26H33NO3.ClH/c1-4-27(19-22-12-8-7-9-13-22)16-10-5-6-11-17-29-23-14-15-24-20(2)21(3)26(28)30-25(24)18-23;/h7-9,12-15,18H,4-6,10-11,16-17,19H2,1-3H3;1H
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n/an/a 320n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50093085
PNG
(CHEMBL3586582)
Show SMILES CN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C25H31NO3/c1-19-20(2)25(27)29-24-17-22(13-14-23(19)24)28-16-10-5-4-9-15-26(3)18-21-11-7-6-8-12-21/h6-8,11-14,17H,4-5,9-10,15-16,18H2,1-3H3
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n/an/a 321n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093240
PNG
(CHEMBL3586574)
Show SMILES Cl.CN(CCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C18H15NO/c1-2-15-17-11-14(20)10-13-8-9-16(19(13)17)18(15)12-6-4-3-5-7-12/h3-11,20H,2H2,1H3
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n/an/a 330n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50093233
PNG
(CHEMBL3586610)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C18H15NO2/c1-2-15-17-10-14(21)9-12-5-8-16(19(12)17)18(15)11-3-6-13(20)7-4-11/h3-10,20-21H,2H2,1H3
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n/an/a 330n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50093085
PNG
(CHEMBL3586582)
Show SMILES CN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C25H31NO3/c1-19-20(2)25(27)29-24-17-22(13-14-23(19)24)28-16-10-5-4-9-15-26(3)18-21-11-7-6-8-12-21/h6-8,11-14,17H,4-5,9-10,15-16,18H2,1-3H3
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n/an/a 340n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093239
PNG
(CHEMBL3586575)
Show SMILES Cl.CCN(CCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C18H15NO2/c1-2-13-14-9-10-17(21)15-7-8-16(19(14)15)18(13)11-3-5-12(20)6-4-11/h3-10,20-21H,2H2,1H3
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n/an/a 360n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50093084
PNG
(CHEMBL3586577)
Show SMILES Cl.Cc1c(C)c(=O)oc2cc(OCCCCCNCc3ccccc3)ccc12
Show InChI InChI=1S/C23H27NO3.ClH/c1-17-18(2)23(25)27-22-15-20(11-12-21(17)22)26-14-8-4-7-13-24-16-19-9-5-3-6-10-19;/h3,5-6,9-12,15,24H,4,7-8,13-14,16H2,1-2H3;1H
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n/an/a 390n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093330
PNG
(CHEMBL3586604)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C27H24N2O3.ClH/c1-19-13-27(30)32-26-14-24(11-12-25(19)26)31-18-23-9-7-22(8-10-23)17-29(2)16-21-5-3-20(15-28)4-6-21;/h3-14H,16-18H2,1-2H3;1H
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n/an/a 410n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093227
PNG
(CHEMBL3586608)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C17H13NO/c1-11-15-4-2-3-13-7-10-16(18(13)15)17(11)12-5-8-14(19)9-6-12/h2-10,19H,1H3
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n/an/a 410n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093227
PNG
(CHEMBL3586608)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C17H13NO/c1-11-15-4-2-3-13-7-10-16(18(13)15)17(11)12-5-8-14(19)9-6-12/h2-10,19H,1H3
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n/an/a 420n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093232
PNG
(CHEMBL3586609)
Show SMILES OCc1cc(=O)oc2cc(OCc3ccc(CNCc4ccccc4)cc3)ccc12
Show InChI InChI=1S/C25H23NO4/c27-16-21-12-25(28)30-24-13-22(10-11-23(21)24)29-17-20-8-6-19(7-9-20)15-26-14-18-4-2-1-3-5-18/h1-13,26-27H,14-17H2
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n/an/a 440n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50093237
PNG
(CHEMBL3586583)
Show SMILES Cl.CCN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C26H33NO3.ClH/c1-4-27(19-22-12-8-7-9-13-22)16-10-5-6-11-17-29-23-14-15-24-20(2)21(3)26(28)30-25(24)18-23;/h7-9,12-15,18H,4-6,10-11,16-17,19H2,1-3H3;1H
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n/an/a 440n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50093238
PNG
(CHEMBL3586595)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1
Show InChI InChI=1S/C27H27NO3.ClH/c1-19-20(2)27(29)31-26-15-24(13-14-25(19)26)30-18-23-11-9-22(10-12-23)17-28(3)16-21-7-5-4-6-8-21;/h4-15H,16-18H2,1-3H3;1H
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n/an/a 450n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50093236
PNG
(CHEMBL3586576)
Show SMILES CN(CCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C16H11NO/c18-14-7-4-11(5-8-14)15-10-13-3-1-2-12-6-9-16(15)17(12)13/h1-10,18H
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n/an/a 480n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093237
PNG
(CHEMBL3586583)
Show SMILES Cl.CCN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C26H33NO3.ClH/c1-4-27(19-22-12-8-7-9-13-22)16-10-5-6-11-17-29-23-14-15-24-20(2)21(3)26(28)30-25(24)18-23;/h7-9,12-15,18H,4-6,10-11,16-17,19H2,1-3H3;1H
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n/an/a 490n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093083
PNG
(CHEMBL3586614)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3ccc(=O)[nH]c3c2)cc1
Show InChI InChI=1S/C25H24N2O2.ClH/c1-27(16-19-5-3-2-4-6-19)17-20-7-9-21(10-8-20)18-29-23-13-11-22-12-14-25(28)26-24(22)15-23;/h2-15H,16-18H2,1H3,(H,26,28);1H
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n/an/a 490n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093236
PNG
(CHEMBL3586576)
Show SMILES CN(CCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C16H11NO/c18-14-7-4-11(5-8-14)15-10-13-3-1-2-12-6-9-16(15)17(12)13/h1-10,18H
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n/an/a 490n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093084
PNG
(CHEMBL3586577)
Show SMILES Cl.Cc1c(C)c(=O)oc2cc(OCCCCCNCc3ccccc3)ccc12
Show InChI InChI=1S/C23H27NO3.ClH/c1-17-18(2)23(25)27-22-15-20(11-12-21(17)22)26-14-8-4-7-13-24-16-19-9-5-3-6-10-19;/h3,5-6,9-12,15,24H,4,7-8,13-14,16H2,1-2H3;1H
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n/an/a 500n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50093295
PNG
(CHEMBL3586593)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3cc(C)c(=O)oc3c2)cc1
Show InChI InChI=1S/C26H25NO3.ClH/c1-19-14-23-12-13-24(15-25(23)30-26(19)28)29-18-22-10-8-21(9-11-22)17-27(2)16-20-6-4-3-5-7-20;/h3-15H,16-18H2,1-2H3;1H
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n/an/a 500n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50093085
PNG
(CHEMBL3586582)
Show SMILES CN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C25H31NO3/c1-19-20(2)25(27)29-24-17-22(13-14-23(19)24)28-16-10-5-4-9-15-26(3)18-21-11-7-6-8-12-21/h6-8,11-14,17H,4-5,9-10,15-16,18H2,1-3H3
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n/an/a 510n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093234
PNG
(CHEMBL3586612)
Show SMILES Cl.CN(CCc1ccc(COc2ccc3ccc(=O)oc3c2)cc1)Cc1ccccc1
Show InChI InChI=1S/C19H17NO/c1-12(2)18-16-5-3-4-14-8-11-17(20(14)16)19(18)13-6-9-15(21)10-7-13/h3-12,21H,1-2H3
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n/an/a 520n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093232
PNG
(CHEMBL3586609)
Show SMILES OCc1cc(=O)oc2cc(OCc3ccc(CNCc4ccccc4)cc3)ccc12
Show InChI InChI=1S/C25H23NO4/c27-16-21-12-25(28)30-24-13-22(10-11-23(21)24)29-17-20-8-6-19(7-9-20)15-26-14-18-4-2-1-3-5-18/h1-13,26-27H,14-17H2
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n/an/a 530n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093241
PNG
(CHEMBL3586578)
Show SMILES CN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C19H17NO2/c1-2-16-18(12-4-8-15(22)9-5-12)17-10-7-14-6-3-13(11-21)19(16)20(14)17/h3-10,21-22H,2,11H2,1H3
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n/an/a 550n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093232
PNG
(CHEMBL3586609)
Show SMILES OCc1cc(=O)oc2cc(OCc3ccc(CNCc4ccccc4)cc3)ccc12
Show InChI InChI=1S/C25H23NO4/c27-16-21-12-25(28)30-24-13-22(10-11-23(21)24)29-17-20-8-6-19(7-9-20)15-26-14-18-4-2-1-3-5-18/h1-13,26-27H,14-17H2
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n/an/a 570n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093229
PNG
(CHEMBL3586598)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C19H17NO/c1-2-4-16-17-6-3-5-14-9-12-18(20(14)17)19(16)13-7-10-15(21)11-8-13/h3,5-12,21H,2,4H2,1H3
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n/an/a 590n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093233
PNG
(CHEMBL3586610)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C18H15NO2/c1-2-15-17-10-14(21)9-12-5-8-16(19(12)17)18(15)11-3-6-13(20)7-4-11/h3-10,20-21H,2H2,1H3
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n/an/a 630n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093235
PNG
(CHEMBL3586613)
Show SMILES Cl.O=c1ccc2ccc(OCc3ccc(CCNCc4ccccc4)cc3)cc2o1
Show InChI InChI=1S/C18H15NO/c1-2-13-14-10-11-17(20)15-8-9-16(19(14)15)18(13)12-6-4-3-5-7-12/h3-11,20H,2H2,1H3
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n/an/a 640n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093327
PNG
(CHEMBL3586601)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C27H26ClNO3.ClH/c1-18-19(2)27(30)32-26-14-24(11-12-25(18)26)31-17-21-9-7-20(8-10-21)15-29(3)16-22-5-4-6-23(28)13-22;/h4-14H,15-17H2,1-3H3;1H
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n/an/a 660n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093085
PNG
(CHEMBL3586582)
Show SMILES CN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C25H31NO3/c1-19-20(2)25(27)29-24-17-22(13-14-23(19)24)28-16-10-5-4-9-15-26(3)18-21-11-7-6-8-12-21/h6-8,11-14,17H,4-5,9-10,15-16,18H2,1-3H3
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n/an/a 670n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093238
PNG
(CHEMBL3586595)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1
Show InChI InChI=1S/C27H27NO3.ClH/c1-19-20(2)27(29)31-26-15-24(13-14-25(19)26)30-18-23-11-9-22(10-12-23)17-28(3)16-21-7-5-4-6-8-21;/h4-15H,16-18H2,1-3H3;1H
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n/an/a 690n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093237
PNG
(CHEMBL3586583)
Show SMILES Cl.CCN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C26H33NO3.ClH/c1-4-27(19-22-12-8-7-9-13-22)16-10-5-6-11-17-29-23-14-15-24-20(2)21(3)26(28)30-25(24)18-23;/h7-9,12-15,18H,4-6,10-11,16-17,19H2,1-3H3;1H
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n/an/a 720n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093245
PNG
(CHEMBL3586581)
Show SMILES Cl.CCN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C25H31NO3.ClH/c1-4-26(18-21-11-7-5-8-12-21)15-9-6-10-16-28-22-13-14-23-19(2)20(3)25(27)29-24(23)17-22;/h5,7-8,11-14,17H,4,6,9-10,15-16,18H2,1-3H3;1H
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n/an/a 750n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093212
PNG
(CHEMBL3586592)
Show SMILES CN(Cc1ccccc1)Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1
Show InChI InChI=1S/C28H42N4O4/c33-25-13-10-24(22-26(25)34)12-15-28(36)32-21-7-19-30-17-5-4-16-29-18-6-20-31-27(35)14-11-23-8-2-1-3-9-23/h1-3,8-10,13,22,29-30,33-34H,4-7,11-12,14-21H2,(H,31,35)(H,32,36)
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n/an/a 750n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50093236
PNG
(CHEMBL3586576)
Show SMILES CN(CCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C16H11NO/c18-14-7-4-11(5-8-14)15-10-13-3-1-2-12-6-9-16(15)17(12)13/h1-10,18H
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n/an/a 790n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093212
PNG
(CHEMBL3586592)
Show SMILES CN(Cc1ccccc1)Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1
Show InChI InChI=1S/C28H42N4O4/c33-25-13-10-24(22-26(25)34)12-15-28(36)32-21-7-19-30-17-5-4-16-29-18-6-20-31-27(35)14-11-23-8-2-1-3-9-23/h1-3,8-10,13,22,29-30,33-34H,4-7,11-12,14-21H2,(H,31,35)(H,32,36)
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n/an/a 850n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093234
PNG
(CHEMBL3586612)
Show SMILES Cl.CN(CCc1ccc(COc2ccc3ccc(=O)oc3c2)cc1)Cc1ccccc1
Show InChI InChI=1S/C19H17NO/c1-12(2)18-16-5-3-4-14-8-11-17(20(14)16)19(18)13-6-9-15(21)10-7-13/h3-12,21H,1-2H3
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n/an/a 850n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093249
PNG
(CHEMBL3586588)
Show SMILES Cl.COc1cccc(CN(C)Cc2cccc(COc3ccc4ccc(=O)oc4c3)c2)c1
Show InChI InChI=1S/C30H48N10O24P4S4/c31-23-17-25(35-13-33-23)39(27-21(43)19(41)15(61-27)11-59-67(51,52)63-65(45,46)47)29(37-17)69-5-9-71(55,56)7-3-1-2-4-8-72(57,58)10-6-70-30-38-18-24(32)34-14-36-26(18)40(30)28-22(44)20(42)16(62-28)12-60-68(53,54)64-66(48,49)50/h13-16,19-22,27-28,41-44H,1-12H2,(H,51,52)(H,53,54)(H2,31,33,35)(H2,32,34,36)(H2,45,46,47)(H2,48,49,50)/t15-,16?,19?,20?,21?,22?,27?,28?/m1/s1
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n/an/a 880n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50093212
PNG
(CHEMBL3586592)
Show SMILES CN(Cc1ccccc1)Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1
Show InChI InChI=1S/C28H42N4O4/c33-25-13-10-24(22-26(25)34)12-15-28(36)32-21-7-19-30-17-5-4-16-29-18-6-20-31-27(35)14-11-23-8-2-1-3-9-23/h1-3,8-10,13,22,29-30,33-34H,4-7,11-12,14-21H2,(H,31,35)(H,32,36)
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n/an/a 890n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50093322
PNG
(CHEMBL3586594)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C26H25NO3.ClH/c1-19-14-26(28)30-25-15-23(12-13-24(19)25)29-18-22-10-8-21(9-11-22)17-27(2)16-20-6-4-3-5-7-20;/h3-15H,16-18H2,1-2H3;1H
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n/an/a 910n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093084
PNG
(CHEMBL3586577)
Show SMILES Cl.Cc1c(C)c(=O)oc2cc(OCCCCCNCc3ccccc3)ccc12
Show InChI InChI=1S/C23H27NO3.ClH/c1-17-18(2)23(25)27-22-15-20(11-12-21(17)22)26-14-8-4-7-13-24-16-19-9-5-3-6-10-19;/h3,5-6,9-12,15,24H,4,7-8,13-14,16H2,1-2H3;1H
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n/an/a 940n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093245
PNG
(CHEMBL3586581)
Show SMILES Cl.CCN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C25H31NO3.ClH/c1-4-26(18-21-11-7-5-8-12-21)15-9-6-10-16-28-22-13-14-23-19(2)20(3)25(27)29-24(23)17-22;/h5,7-8,11-14,17H,4,6,9-10,15-16,18H2,1-3H3;1H
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n/an/a 940n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50093212
PNG
(CHEMBL3586592)
Show SMILES CN(Cc1ccccc1)Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1
Show InChI InChI=1S/C28H42N4O4/c33-25-13-10-24(22-26(25)34)12-15-28(36)32-21-7-19-30-17-5-4-16-29-18-6-20-31-27(35)14-11-23-8-2-1-3-9-23/h1-3,8-10,13,22,29-30,33-34H,4-7,11-12,14-21H2,(H,31,35)(H,32,36)
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n/an/a 950n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50093085
PNG
(CHEMBL3586582)
Show SMILES CN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C25H31NO3/c1-19-20(2)25(27)29-24-17-22(13-14-23(19)24)28-16-10-5-4-9-15-26(3)18-21-11-7-6-8-12-21/h6-8,11-14,17H,4-5,9-10,15-16,18H2,1-3H3
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n/an/a 950n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50093084
PNG
(CHEMBL3586577)
Show SMILES Cl.Cc1c(C)c(=O)oc2cc(OCCCCCNCc3ccccc3)ccc12
Show InChI InChI=1S/C23H27NO3.ClH/c1-17-18(2)23(25)27-22-15-20(11-12-21(17)22)26-14-8-4-7-13-24-16-19-9-5-3-6-10-19;/h3,5-6,9-12,15,24H,4,7-8,13-14,16H2,1-2H3;1H
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n/an/a 950n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093241
PNG
(CHEMBL3586578)
Show SMILES CN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C19H17NO2/c1-2-16-18(12-4-8-15(22)9-5-12)17-10-7-14-6-3-13(11-21)19(16)20(14)17/h3-10,21-22H,2,11H2,1H3
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n/an/a 980n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093239
PNG
(CHEMBL3586575)
Show SMILES Cl.CCN(CCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C18H15NO2/c1-2-13-14-9-10-17(21)15-7-8-16(19(14)15)18(13)11-3-5-12(20)6-4-11/h3-10,20-21H,2H2,1H3
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n/an/a 980n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093334
PNG
(CHEMBL3586607)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3cc(C#N)c(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C27H21N3O3.ClH/c1-30(16-20-4-2-19(14-28)3-5-20)17-21-6-8-22(9-7-21)18-32-25-11-10-23-12-24(15-29)27(31)33-26(23)13-25;/h2-13H,16-18H2,1H3;1H
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093247
PNG
(CHEMBL3586586)
Show SMILES CN(Cc1ccccc1)Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C25H23NO3/c1-26(16-19-6-3-2-4-7-19)17-20-8-5-9-21(14-20)18-28-23-12-10-22-11-13-25(27)29-24(22)15-23/h2-15H,16-18H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50093326
PNG
(CHEMBL3586600)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C26H24ClNO3.ClH/c1-18-12-26(29)31-25-14-23(10-11-24(18)25)30-17-20-8-6-19(7-9-20)15-28(2)16-21-4-3-5-22(27)13-21;/h3-14H,15-17H2,1-2H3;1H
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093322
PNG
(CHEMBL3586594)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C26H25NO3.ClH/c1-19-14-26(28)30-25-15-23(12-13-24(19)25)29-18-22-10-8-21(9-11-22)17-27(2)16-20-6-4-3-5-7-20;/h3-15H,16-18H2,1-2H3;1H
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50093240
PNG
(CHEMBL3586574)
Show SMILES Cl.CN(CCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C18H15NO/c1-2-15-17-11-14(20)10-13-8-9-16(19(13)17)18(15)12-6-4-3-5-7-12/h3-11,20H,2H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093295
PNG
(CHEMBL3586593)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3cc(C)c(=O)oc3c2)cc1
Show InChI InChI=1S/C26H25NO3.ClH/c1-19-14-23-12-13-24(15-25(23)30-26(19)28)29-18-22-10-8-21(9-11-22)17-27(2)16-20-6-4-3-5-7-20;/h3-15H,16-18H2,1-2H3;1H
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n/an/a 1.10E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093227
PNG
(CHEMBL3586608)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C17H13NO/c1-11-15-4-2-3-13-7-10-16(18(13)15)17(11)12-5-8-14(19)9-6-12/h2-10,19H,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093236
PNG
(CHEMBL3586576)
Show SMILES CN(CCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C16H11NO/c18-14-7-4-11(5-8-14)15-10-13-3-1-2-12-6-9-16(15)17(12)13/h1-10,18H
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n/an/a 1.10E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093238
PNG
(CHEMBL3586595)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1
Show InChI InChI=1S/C27H27NO3.ClH/c1-19-20(2)27(29)31-26-15-24(13-14-25(19)26)30-18-23-11-9-22(10-12-23)17-28(3)16-21-7-5-4-6-8-21;/h4-15H,16-18H2,1-3H3;1H
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093229
PNG
(CHEMBL3586598)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C19H17NO/c1-2-4-16-17-6-3-5-14-9-12-18(20(14)17)19(16)13-7-10-15(21)11-8-13/h3,5-12,21H,2,4H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093324
PNG
(CHEMBL3586599)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3cc(C)c(=O)oc3c2)cc1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C26H24ClNO3.ClH/c1-18-12-22-10-11-24(14-25(22)31-26(18)29)30-17-20-8-6-19(7-9-20)15-28(2)16-21-4-3-5-23(27)13-21;/h3-14H,15-17H2,1-2H3;1H
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n/an/a 1.30E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093240
PNG
(CHEMBL3586574)
Show SMILES Cl.CN(CCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C18H15NO/c1-2-15-17-11-14(20)10-13-8-9-16(19(13)17)18(15)12-6-4-3-5-7-12/h3-11,20H,2H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093228
PNG
(CHEMBL3586597)
Show SMILES Cl.COc1cccc(CN(C)Cc2ccc(COc3ccc4ccc(=O)oc4c3)cc2)c1
Show InChI InChI=1S/C26H25NO4.ClH/c1-27(17-21-4-3-5-23(14-21)29-2)16-19-6-8-20(9-7-19)18-30-24-12-10-22-11-13-26(28)31-25(22)15-24;/h3-15H,16-18H2,1-2H3;1H
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n/an/a 1.40E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50093083
PNG
(CHEMBL3586614)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3ccc(=O)[nH]c3c2)cc1
Show InChI InChI=1S/C25H24N2O2.ClH/c1-27(16-19-5-3-2-4-6-19)17-20-7-9-21(10-8-20)18-29-23-13-11-22-12-14-25(28)26-24(22)15-23;/h2-15H,16-18H2,1H3,(H,26,28);1H
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n/an/a 1.50E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093085
PNG
(CHEMBL3586582)
Show SMILES CN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C25H31NO3/c1-19-20(2)25(27)29-24-17-22(13-14-23(19)24)28-16-10-5-4-9-15-26(3)18-21-11-7-6-8-12-21/h6-8,11-14,17H,4-5,9-10,15-16,18H2,1-3H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50093235
PNG
(CHEMBL3586613)
Show SMILES Cl.O=c1ccc2ccc(OCc3ccc(CCNCc4ccccc4)cc3)cc2o1
Show InChI InChI=1S/C18H15NO/c1-2-13-14-10-11-17(20)15-8-9-16(19(14)15)18(13)12-6-4-3-5-7-12/h3-11,20H,2H2,1H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093338
PNG
(CHEMBL3586585)
Show SMILES Cl.CCN(CC)Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C21H23NO3.ClH/c1-3-22(4-2)14-16-6-5-7-17(12-16)15-24-19-10-8-18-9-11-21(23)25-20(18)13-19;/h5-13H,3-4,14-15H2,1-2H3;1H
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n/an/a 1.70E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093329
PNG
(CHEMBL3586603)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3cc(C)c(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C27H24N2O3.ClH/c1-19-13-24-11-12-25(14-26(24)32-27(19)30)31-18-23-9-7-22(8-10-23)17-29(2)16-21-5-3-20(15-28)4-6-21;/h3-14H,16-18H2,1-2H3;1H
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n/an/a 1.70E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093083
PNG
(CHEMBL3586614)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3ccc(=O)[nH]c3c2)cc1
Show InChI InChI=1S/C25H24N2O2.ClH/c1-27(16-19-5-3-2-4-6-19)17-20-7-9-21(10-8-20)18-29-23-13-11-22-12-14-25(28)26-24(22)15-23;/h2-15H,16-18H2,1H3,(H,26,28);1H
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n/an/a 1.70E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093084
PNG
(CHEMBL3586577)
Show SMILES Cl.Cc1c(C)c(=O)oc2cc(OCCCCCNCc3ccccc3)ccc12
Show InChI InChI=1S/C23H27NO3.ClH/c1-17-18(2)23(25)27-22-15-20(11-12-21(17)22)26-14-8-4-7-13-24-16-19-9-5-3-6-10-19;/h3,5-6,9-12,15,24H,4,7-8,13-14,16H2,1-2H3;1H
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n/an/a 1.80E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093247
PNG
(CHEMBL3586586)
Show SMILES CN(Cc1ccccc1)Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C25H23NO3/c1-26(16-19-6-3-2-4-7-19)17-20-8-5-9-21(14-20)18-28-23-12-10-22-11-13-25(27)29-24(22)15-23/h2-15H,16-18H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50093237
PNG
(CHEMBL3586583)
Show SMILES Cl.CCN(CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C26H33NO3.ClH/c1-4-27(19-22-12-8-7-9-13-22)16-10-5-6-11-17-29-23-14-15-24-20(2)21(3)26(28)30-25(24)18-23;/h7-9,12-15,18H,4-6,10-11,16-17,19H2,1-3H3;1H
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n/an/a 2.10E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50093084
PNG
(CHEMBL3586577)
Show SMILES Cl.Cc1c(C)c(=O)oc2cc(OCCCCCNCc3ccccc3)ccc12
Show InChI InChI=1S/C23H27NO3.ClH/c1-17-18(2)23(25)27-22-15-20(11-12-21(17)22)26-14-8-4-7-13-24-16-19-9-5-3-6-10-19;/h3,5-6,9-12,15,24H,4,7-8,13-14,16H2,1-2H3;1H
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n/an/a 2.20E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093247
PNG
(CHEMBL3586586)
Show SMILES CN(Cc1ccccc1)Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C25H23NO3/c1-26(16-19-6-3-2-4-7-19)17-20-8-5-9-21(14-20)18-28-23-12-10-22-11-13-25(27)29-24(22)15-23/h2-15H,16-18H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093242
PNG
(CHEMBL3586579)
Show SMILES Cl.CN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1cccc(c1)C#N
Show InChI InChI=1S/C25H28N2O3.ClH/c1-18-19(2)25(28)30-24-15-22(10-11-23(18)24)29-13-6-4-5-12-27(3)17-21-9-7-8-20(14-21)16-26;/h7-11,14-15H,4-6,12-13,17H2,1-3H3;1H
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n/an/a 2.30E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093295
PNG
(CHEMBL3586593)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3cc(C)c(=O)oc3c2)cc1
Show InChI InChI=1S/C26H25NO3.ClH/c1-19-14-23-12-13-24(15-25(23)30-26(19)28)29-18-22-10-8-21(9-11-22)17-27(2)16-20-6-4-3-5-7-20;/h3-15H,16-18H2,1-2H3;1H
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n/an/a 2.40E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093249
PNG
(CHEMBL3586588)
Show SMILES Cl.COc1cccc(CN(C)Cc2cccc(COc3ccc4ccc(=O)oc4c3)c2)c1
Show InChI InChI=1S/C30H48N10O24P4S4/c31-23-17-25(35-13-33-23)39(27-21(43)19(41)15(61-27)11-59-67(51,52)63-65(45,46)47)29(37-17)69-5-9-71(55,56)7-3-1-2-4-8-72(57,58)10-6-70-30-38-18-24(32)34-14-36-26(18)40(30)28-22(44)20(42)16(62-28)12-60-68(53,54)64-66(48,49)50/h13-16,19-22,27-28,41-44H,1-12H2,(H,51,52)(H,53,54)(H2,31,33,35)(H2,32,34,36)(H2,45,46,47)(H2,48,49,50)/t15-,16?,19?,20?,21?,22?,27?,28?/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093242
PNG
(CHEMBL3586579)
Show SMILES Cl.CN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1cccc(c1)C#N
Show InChI InChI=1S/C25H28N2O3.ClH/c1-18-19(2)25(28)30-24-15-22(10-11-23(18)24)29-13-6-4-5-12-27(3)17-21-9-7-8-20(14-21)16-26;/h7-11,14-15H,4-6,12-13,17H2,1-3H3;1H
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n/an/a 2.50E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093243
PNG
(CHEMBL3585361)
Show SMILES Cl.CN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C24H28ClNO3.ClH/c1-17-18(2)24(27)29-23-15-21(10-11-22(17)23)28-13-6-4-5-12-26(3)16-19-8-7-9-20(25)14-19;/h7-11,14-15H,4-6,12-13,16H2,1-3H3;1H
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n/an/a 2.60E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093229
PNG
(CHEMBL3586598)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C19H17NO/c1-2-4-16-17-6-3-5-14-9-12-18(20(14)17)19(16)13-7-10-15(21)11-8-13/h3,5-12,21H,2,4H2,1H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093244
PNG
(CHEMBL3586580)
Show SMILES Cl.CN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C25H28N2O3.ClH/c1-18-19(2)25(28)30-24-15-22(11-12-23(18)24)29-14-6-4-5-13-27(3)17-21-9-7-20(16-26)8-10-21;/h7-12,15H,4-6,13-14,17H2,1-3H3;1H
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n/an/a 2.80E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093248
PNG
(CHEMBL3586587)
Show SMILES Cl.CN(Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1)Cc1cccc(c1)C#N
Show InChI InChI=1S/C26H22N2O3.ClH/c1-28(16-20-5-2-4-19(12-20)15-27)17-21-6-3-7-22(13-21)18-30-24-10-8-23-9-11-26(29)31-25(23)14-24;/h2-14H,16-18H2,1H3;1H
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n/an/a 2.80E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093323
PNG
(CHEMBL3586596)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1)Cc1cccc(c1)C#N
Show InChI InChI=1S/C26H22N2O3.ClH/c1-28(17-22-4-2-3-21(13-22)15-27)16-19-5-7-20(8-6-19)18-30-24-11-9-23-10-12-26(29)31-25(23)14-24;/h2-14H,16-18H2,1H3;1H
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n/an/a 2.80E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093241
PNG
(CHEMBL3586578)
Show SMILES CN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C19H17NO2/c1-2-16-18(12-4-8-15(22)9-5-12)17-10-7-14-6-3-13(11-21)19(16)20(14)17/h3-10,21-22H,2,11H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093339
PNG
(CHEMBL3586591)
Show SMILES CCN(CC)Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1
Show InChI InChI=1S/C21H23NO3/c1-3-22(4-2)14-16-5-7-17(8-6-16)15-24-19-11-9-18-10-12-21(23)25-20(18)13-19/h5-13H,3-4,14-15H2,1-2H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093228
PNG
(CHEMBL3586597)
Show SMILES Cl.COc1cccc(CN(C)Cc2ccc(COc3ccc4ccc(=O)oc4c3)cc2)c1
Show InChI InChI=1S/C26H25NO4.ClH/c1-27(17-21-4-3-5-23(14-21)29-2)16-19-6-8-20(9-7-19)18-30-24-12-10-22-11-13-26(28)31-25(22)15-24;/h3-15H,16-18H2,1-2H3;1H
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n/an/a 2.90E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093332
PNG
(CHEMBL3586605)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C28H26N2O3.ClH/c1-19-20(2)28(31)33-27-14-25(12-13-26(19)27)32-18-24-10-8-23(9-11-24)17-30(3)16-22-6-4-21(15-29)5-7-22;/h4-14H,16-18H2,1-3H3;1H
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n/an/a 2.90E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093246
PNG
(CHEMBL3586584)
Show SMILES CN(C)Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C19H19NO3/c1-20(2)12-14-4-3-5-15(10-14)13-22-17-8-6-16-7-9-19(21)23-18(16)11-17/h3-11H,12-13H2,1-2H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093244
PNG
(CHEMBL3586580)
Show SMILES Cl.CN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C25H28N2O3.ClH/c1-18-19(2)25(28)30-24-15-22(11-12-23(18)24)29-14-6-4-5-13-27(3)17-21-9-7-20(16-26)8-10-21;/h7-12,15H,4-6,13-14,17H2,1-3H3;1H
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n/an/a 3.30E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093330
PNG
(CHEMBL3586604)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C27H24N2O3.ClH/c1-19-13-27(30)32-26-14-24(11-12-25(19)26)31-18-23-9-7-22(8-10-23)17-29(2)16-21-5-3-20(15-28)4-6-21;/h3-14H,16-18H2,1-2H3;1H
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n/an/a 3.30E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093327
PNG
(CHEMBL3586601)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C27H26ClNO3.ClH/c1-18-19(2)27(30)32-26-14-24(11-12-25(18)26)31-17-21-9-7-20(8-10-21)15-29(3)16-22-5-4-6-23(28)13-22;/h4-14H,15-17H2,1-3H3;1H
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n/an/a 3.40E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093250
PNG
(CHEMBL3586589)
Show SMILES Cl.CN(Cc1cccc(Cl)c1)Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C30H48N10O24P4S4/c31-23-19-24(34-14-33-23)40(27-22(43)21(42)17(62-27)13-60-68(53,54)64-66(48,49)50)30(35-19)70-6-10-72(57,58)8-4-2-1-3-7-71(55,56)9-5-69-29-36-20-25(37-28(32)38-26(20)44)39(29)18-11-15(41)16(61-18)12-59-67(51,52)63-65(45,46)47/h14-18,21-22,27,41-43H,1-13H2,(H,51,52)(H,53,54)(H2,31,33,34)(H2,45,46,47)(H2,48,49,50)(H3,32,37,38,44)/t15?,16-,17?,18?,21?,22?,27?/m1/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093339
PNG
(CHEMBL3586591)
Show SMILES CCN(CC)Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1
Show InChI InChI=1S/C21H23NO3/c1-3-22(4-2)14-16-5-7-17(8-6-16)15-24-19-11-9-18-10-12-21(23)25-20(18)13-19/h5-13H,3-4,14-15H2,1-2H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093294
PNG
(CHEMBL3586590)
Show SMILES CN(C)Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1
Show InChI InChI=1S/C19H19NO3/c1-20(2)12-14-3-5-15(6-4-14)13-22-17-9-7-16-8-10-19(21)23-18(16)11-17/h3-11H,12-13H2,1-2H3
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n/an/a 3.70E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093236
PNG
(CHEMBL3586576)
Show SMILES CN(CCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C16H11NO/c18-14-7-4-11(5-8-14)15-10-13-3-1-2-12-6-9-16(15)17(12)13/h1-10,18H
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n/an/a 3.70E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093248
PNG
(CHEMBL3586587)
Show SMILES Cl.CN(Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1)Cc1cccc(c1)C#N
Show InChI InChI=1S/C26H22N2O3.ClH/c1-28(16-20-5-2-4-19(12-20)15-27)17-21-6-3-7-22(13-21)18-30-24-10-8-23-9-11-26(29)31-25(23)14-24;/h2-14H,16-18H2,1H3;1H
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n/an/a 3.70E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50093332
PNG
(CHEMBL3586605)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C28H26N2O3.ClH/c1-19-20(2)28(31)33-27-14-25(12-13-26(19)27)32-18-24-10-8-23(9-11-24)17-30(3)16-22-6-4-21(15-29)5-7-22;/h4-14H,16-18H2,1-3H3;1H
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n/an/a 3.90E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093239
PNG
(CHEMBL3586575)
Show SMILES Cl.CCN(CCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C18H15NO2/c1-2-13-14-9-10-17(21)15-7-8-16(19(14)15)18(13)11-3-5-12(20)6-4-11/h3-10,20-21H,2H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093322
PNG
(CHEMBL3586594)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C26H25NO3.ClH/c1-19-14-26(28)30-25-15-23(12-13-24(19)25)29-18-22-10-8-21(9-11-22)17-27(2)16-20-6-4-3-5-7-20;/h3-15H,16-18H2,1-2H3;1H
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n/an/a 4.10E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093323
PNG
(CHEMBL3586596)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1)Cc1cccc(c1)C#N
Show InChI InChI=1S/C26H22N2O3.ClH/c1-28(17-22-4-2-3-21(13-22)15-27)16-19-5-7-20(8-6-19)18-30-24-11-9-23-10-12-26(29)31-25(23)14-24;/h2-14H,16-18H2,1H3;1H
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n/an/a 4.10E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093242
PNG
(CHEMBL3586579)
Show SMILES Cl.CN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1cccc(c1)C#N
Show InChI InChI=1S/C25H28N2O3.ClH/c1-18-19(2)25(28)30-24-15-22(10-11-23(18)24)29-13-6-4-5-12-27(3)17-21-9-7-8-20(14-21)16-26;/h7-11,14-15H,4-6,12-13,17H2,1-3H3;1H
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n/an/a 4.10E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093234
PNG
(CHEMBL3586612)
Show SMILES Cl.CN(CCc1ccc(COc2ccc3ccc(=O)oc3c2)cc1)Cc1ccccc1
Show InChI InChI=1S/C19H17NO/c1-12(2)18-16-5-3-4-14-8-11-17(20(14)16)19(18)13-6-9-15(21)10-7-13/h3-12,21H,1-2H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50093241
PNG
(CHEMBL3586578)
Show SMILES CN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C19H17NO2/c1-2-16-18(12-4-8-15(22)9-5-12)17-10-7-14-6-3-13(11-21)19(16)20(14)17/h3-10,21-22H,2,11H2,1H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093248
PNG
(CHEMBL3586587)
Show SMILES Cl.CN(Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1)Cc1cccc(c1)C#N
Show InChI InChI=1S/C26H22N2O3.ClH/c1-28(16-20-5-2-4-19(12-20)15-27)17-21-6-3-7-22(13-21)18-30-24-10-8-23-9-11-26(29)31-25(23)14-24;/h2-14H,16-18H2,1H3;1H
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n/an/a 4.20E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093332
PNG
(CHEMBL3586605)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C28H26N2O3.ClH/c1-19-20(2)28(31)33-27-14-25(12-13-26(19)27)32-18-24-10-8-23(9-11-24)17-30(3)16-22-6-4-21(15-29)5-7-22;/h4-14H,16-18H2,1-3H3;1H
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n/an/a 4.20E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093244
PNG
(CHEMBL3586580)
Show SMILES Cl.CN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C25H28N2O3.ClH/c1-18-19(2)25(28)30-24-15-22(11-12-23(18)24)29-14-6-4-5-13-27(3)17-21-9-7-20(16-26)8-10-21;/h7-12,15H,4-6,13-14,17H2,1-3H3;1H
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n/an/a 4.30E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50093238
PNG
(CHEMBL3586595)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1
Show InChI InChI=1S/C27H27NO3.ClH/c1-19-20(2)27(29)31-26-15-24(13-14-25(19)26)30-18-23-11-9-22(10-12-23)17-28(3)16-21-7-5-4-6-8-21;/h4-15H,16-18H2,1-3H3;1H
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n/an/a 4.30E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093230
PNG
(CHEMBL3586602)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C18H15NO/c1-2-15-16-8-4-6-13-9-10-17(19(13)16)18(15)12-5-3-7-14(20)11-12/h3-11,20H,2H2,1H3
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n/an/a 4.40E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50093335
PNG
(CHEMBL3586611)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C27H24N2O4.ClH/c1-29(15-20-4-2-19(14-28)3-5-20)16-21-6-8-22(9-7-21)18-32-24-10-11-25-23(17-30)12-27(31)33-26(25)13-24;/h2-13,30H,15-18H2,1H3;1H
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n/an/a 4.48E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50093083
PNG
(CHEMBL3586614)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3ccc(=O)[nH]c3c2)cc1
Show InChI InChI=1S/C25H24N2O2.ClH/c1-27(16-19-5-3-2-4-6-19)17-20-7-9-21(10-8-20)18-29-23-13-11-22-12-14-25(28)26-24(22)15-23;/h2-15H,16-18H2,1H3,(H,26,28);1H
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n/an/a 4.50E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093324
PNG
(CHEMBL3586599)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3cc(C)c(=O)oc3c2)cc1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C26H24ClNO3.ClH/c1-18-12-22-10-11-24(14-25(22)31-26(18)29)30-17-20-8-6-19(7-9-20)15-28(2)16-21-4-3-5-23(27)13-21;/h3-14H,15-17H2,1-2H3;1H
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n/an/a 4.50E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093228
PNG
(CHEMBL3586597)
Show SMILES Cl.COc1cccc(CN(C)Cc2ccc(COc3ccc4ccc(=O)oc4c3)cc2)c1
Show InChI InChI=1S/C26H25NO4.ClH/c1-27(17-21-4-3-5-23(14-21)29-2)16-19-6-8-20(9-7-19)18-30-24-12-10-22-11-13-26(28)31-25(22)15-24;/h3-15H,16-18H2,1-2H3;1H
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n/an/a 4.60E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093235
PNG
(CHEMBL3586613)
Show SMILES Cl.O=c1ccc2ccc(OCc3ccc(CCNCc4ccccc4)cc3)cc2o1
Show InChI InChI=1S/C18H15NO/c1-2-13-14-10-11-17(20)15-8-9-16(19(14)15)18(13)12-6-4-3-5-7-12/h3-11,20H,2H2,1H3
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n/an/a 4.70E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		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 4.80E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093326
PNG
(CHEMBL3586600)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C26H24ClNO3.ClH/c1-18-12-26(29)31-25-14-23(10-11-24(18)25)30-17-20-8-6-19(7-9-20)15-28(2)16-21-4-3-5-22(27)13-21;/h3-14H,15-17H2,1-2H3;1H
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n/an/a 5.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093246
PNG
(CHEMBL3586584)
Show SMILES CN(C)Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C19H19NO3/c1-20(2)12-14-4-3-5-15(10-14)13-22-17-8-6-16-7-9-19(21)23-18(16)11-17/h3-11H,12-13H2,1-2H3
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n/an/a 5.30E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50093242
PNG
(CHEMBL3586579)
Show SMILES Cl.CN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1cccc(c1)C#N
Show InChI InChI=1S/C25H28N2O3.ClH/c1-18-19(2)25(28)30-24-15-22(10-11-23(18)24)29-13-6-4-5-12-27(3)17-21-9-7-8-20(14-21)16-26;/h7-11,14-15H,4-6,12-13,17H2,1-3H3;1H
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n/an/a 5.30E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093231
PNG
(CHEMBL3586606)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3cc(C#N)c(=O)oc3c2)cc1
Show InChI InChI=1S/C26H22N2O3.ClH/c1-28(16-19-5-3-2-4-6-19)17-20-7-9-21(10-8-20)18-30-24-12-11-22-13-23(15-27)26(29)31-25(22)14-24;/h2-14H,16-18H2,1H3;1H
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n/an/a 5.50E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093230
PNG
(CHEMBL3586602)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C18H15NO/c1-2-15-16-8-4-6-13-9-10-17(19(13)16)18(15)12-5-3-7-14(20)11-12/h3-11,20H,2H2,1H3
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n/an/a 5.60E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093250
PNG
(CHEMBL3586589)
Show SMILES Cl.CN(Cc1cccc(Cl)c1)Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C30H48N10O24P4S4/c31-23-19-24(34-14-33-23)40(27-22(43)21(42)17(62-27)13-60-68(53,54)64-66(48,49)50)30(35-19)70-6-10-72(57,58)8-4-2-1-3-7-71(55,56)9-5-69-29-36-20-25(37-28(32)38-26(20)44)39(29)18-11-15(41)16(61-18)12-59-67(51,52)63-65(45,46)47/h14-18,21-22,27,41-43H,1-13H2,(H,51,52)(H,53,54)(H2,31,33,34)(H2,45,46,47)(H2,48,49,50)(H3,32,37,38,44)/t15?,16-,17?,18?,21?,22?,27?/m1/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50093230
PNG
(CHEMBL3586602)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C18H15NO/c1-2-15-16-8-4-6-13-9-10-17(19(13)16)18(15)12-5-3-7-14(20)11-12/h3-11,20H,2H2,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093335
PNG
(CHEMBL3586611)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C27H24N2O4.ClH/c1-29(15-20-4-2-19(14-28)3-5-20)16-21-6-8-22(9-7-21)18-32-24-10-11-25-23(17-30)12-27(31)33-26(25)13-24;/h2-13,30H,15-18H2,1H3;1H
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n/an/a 6.30E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093249
PNG
(CHEMBL3586588)
Show SMILES Cl.COc1cccc(CN(C)Cc2cccc(COc3ccc4ccc(=O)oc4c3)c2)c1
Show InChI InChI=1S/C30H48N10O24P4S4/c31-23-17-25(35-13-33-23)39(27-21(43)19(41)15(61-27)11-59-67(51,52)63-65(45,46)47)29(37-17)69-5-9-71(55,56)7-3-1-2-4-8-72(57,58)10-6-70-30-38-18-24(32)34-14-36-26(18)40(30)28-22(44)20(42)16(62-28)12-60-68(53,54)64-66(48,49)50/h13-16,19-22,27-28,41-44H,1-12H2,(H,51,52)(H,53,54)(H2,31,33,35)(H2,32,34,36)(H2,45,46,47)(H2,48,49,50)/t15-,16?,19?,20?,21?,22?,27?,28?/m1/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50093236
PNG
(CHEMBL3586576)
Show SMILES CN(CCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C16H11NO/c18-14-7-4-11(5-8-14)15-10-13-3-1-2-12-6-9-16(15)17(12)13/h1-10,18H
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n/an/a 6.60E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093338
PNG
(CHEMBL3586585)
Show SMILES Cl.CCN(CC)Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C21H23NO3.ClH/c1-3-22(4-2)14-16-6-5-7-17(12-16)15-24-19-10-8-18-9-11-21(23)25-20(18)13-19;/h5-13H,3-4,14-15H2,1-2H3;1H
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n/an/a 6.80E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093329
PNG
(CHEMBL3586603)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3cc(C)c(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C27H24N2O3.ClH/c1-19-13-24-11-12-25(14-26(24)32-27(19)30)31-18-23-9-7-22(8-10-23)17-29(2)16-21-5-3-20(15-28)4-6-21;/h3-14H,16-18H2,1-2H3;1H
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n/an/a 7.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093294
PNG
(CHEMBL3586590)
Show SMILES CN(C)Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1
Show InChI InChI=1S/C19H19NO3/c1-20(2)12-14-3-5-15(6-4-14)13-22-17-9-7-16-8-10-19(21)23-18(16)11-17/h3-11H,12-13H2,1-2H3
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n/an/a 7.10E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50093323
PNG
(CHEMBL3586596)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1)Cc1cccc(c1)C#N
Show InChI InChI=1S/C26H22N2O3.ClH/c1-28(17-22-4-2-3-21(13-22)15-27)16-19-5-7-20(8-6-19)18-30-24-11-9-23-10-12-26(29)31-25(23)14-24;/h2-14H,16-18H2,1H3;1H
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n/an/a 7.40E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50093239
PNG
(CHEMBL3586575)
Show SMILES Cl.CCN(CCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C18H15NO2/c1-2-13-14-9-10-17(21)15-7-8-16(19(14)15)18(13)11-3-5-12(20)6-4-11/h3-10,20-21H,2H2,1H3
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n/an/a 7.40E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093240
PNG
(CHEMBL3586574)
Show SMILES Cl.CN(CCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C18H15NO/c1-2-15-17-11-14(20)10-13-8-9-16(19(13)17)18(15)12-6-4-3-5-7-12/h3-11,20H,2H2,1H3
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n/an/a 7.80E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093245
PNG
(CHEMBL3586581)
Show SMILES Cl.CCN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C25H31NO3.ClH/c1-4-26(18-21-11-7-5-8-12-21)15-9-6-10-16-28-22-13-14-23-19(2)20(3)25(27)29-24(23)17-22;/h5,7-8,11-14,17H,4,6,9-10,15-16,18H2,1-3H3;1H
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n/an/a 7.80E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50093330
PNG
(CHEMBL3586604)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C27H24N2O3.ClH/c1-19-13-27(30)32-26-14-24(11-12-25(19)26)31-18-23-9-7-22(8-10-23)17-29(2)16-21-5-3-20(15-28)4-6-21;/h3-14H,16-18H2,1-2H3;1H
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n/an/a 8.50E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50093243
PNG
(CHEMBL3585361)
Show SMILES Cl.CN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C24H28ClNO3.ClH/c1-17-18(2)24(27)29-23-15-21(10-11-22(17)23)28-13-6-4-5-12-26(3)16-19-8-7-9-20(25)14-19;/h7-11,14-15H,4-6,12-13,16H2,1-3H3;1H
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n/an/a 8.90E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50093227
PNG
(CHEMBL3586608)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C17H13NO/c1-11-15-4-2-3-13-7-10-16(18(13)15)17(11)12-5-8-14(19)9-6-12/h2-10,19H,1H3
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n/an/a 9.30E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50093245
PNG
(CHEMBL3586581)
Show SMILES Cl.CCN(CCCCCOc1ccc2c(C)c(C)c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C25H31NO3.ClH/c1-4-26(18-21-11-7-5-8-12-21)15-9-6-10-16-28-22-13-14-23-19(2)20(3)25(27)29-24(23)17-22;/h5,7-8,11-14,17H,4,6,9-10,15-16,18H2,1-3H3;1H
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n/an/a 9.50E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM50093246
PNG
(CHEMBL3586584)
Show SMILES CN(C)Cc1cccc(COc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C19H19NO3/c1-20(2)12-14-4-3-5-15(10-14)13-22-17-8-6-16-7-9-19(21)23-18(16)11-17/h3-11H,12-13H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50093212
PNG
(CHEMBL3586592)
Show SMILES CN(Cc1ccccc1)Cc1ccc(COc2ccc3ccc(=O)oc3c2)cc1
Show InChI InChI=1S/C28H42N4O4/c33-25-13-10-24(22-26(25)34)12-15-28(36)32-21-7-19-30-17-5-4-16-29-18-6-20-31-27(35)14-11-23-8-2-1-3-9-23/h1-3,8-10,13,22,29-30,33-34H,4-7,11-12,14-21H2,(H,31,35)(H,32,36)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by spectrophotometric Ellman's method

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50093233
PNG
(CHEMBL3586610)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C18H15NO2/c1-2-15-17-10-14(21)9-12-5-8-16(19(12)17)18(15)11-3-6-13(20)7-4-11/h3-10,20-21H,2H2,1H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50093227
PNG
(CHEMBL3586608)
Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C17H13NO/c1-11-15-4-2-3-13-7-10-16(18(13)15)17(11)12-5-8-14(19)9-6-12/h2-10,19H,1H3
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n/an/a 1.58E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine substrate by spectrophotometric assay

J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%