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PubMed code 22222137

Compile data set for download or QSAR
Found 13 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
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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Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



Universit£ degli Studi Magna Gr£cia di Catanzaro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as inhibition of hydrogen peroxide product...


Eur J Med Chem 48: 284-95 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.027
BindingDB Entry DOI: 10.7270/Q2JS9QW8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Universit£ degli Studi Magna Gr£cia di Catanzaro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as inhibition of hydrogen peroxide product...


Eur J Med Chem 48: 284-95 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.027
BindingDB Entry DOI: 10.7270/Q2JS9QW8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50361370
PNG
(CHEMBL1934043)
Show SMILES Cc1ccccc1CN=Nc1nc(cs1)-c1ccc(F)cc1 |w:9.10|
Show InChI InChI=1S/C17H14FN3S/c1-12-4-2-3-5-14(12)10-19-21-17-20-16(11-22-17)13-6-8-15(18)9-7-13/h2-9,11H,10H2,1H3
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n/an/a 190n/an/an/an/an/an/a



Universit£ degli Studi Magna Gr£cia di Catanzaro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as inhibition of hydrogen peroxide product...


Eur J Med Chem 48: 284-95 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.027
BindingDB Entry DOI: 10.7270/Q2JS9QW8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50361366
PNG
(CHEMBL1934039)
Show SMILES Fc1ccc(cc1)-c1csc(N=NCc2ccccc2)n1 |w:11.11|
Show InChI InChI=1S/C16H12FN3S/c17-14-8-6-13(7-9-14)15-11-21-16(19-15)20-18-10-12-4-2-1-3-5-12/h1-9,11H,10H2
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n/an/a 790n/an/an/an/an/an/a



Universit£ degli Studi Magna Gr£cia di Catanzaro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as inhibition of hydrogen peroxide product...


Eur J Med Chem 48: 284-95 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.027
BindingDB Entry DOI: 10.7270/Q2JS9QW8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50361367
PNG
(CHEMBL1934040)
Show SMILES Fc1ccc(cc1)-c1csc(N=NCc2ccc(Cl)cc2)n1 |w:11.11|
Show InChI InChI=1S/C16H11ClFN3S/c17-13-5-1-11(2-6-13)9-19-21-16-20-15(10-22-16)12-3-7-14(18)8-4-12/h1-8,10H,9H2
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n/an/a 1.32E+3n/an/an/an/an/an/a



Universit£ degli Studi Magna Gr£cia di Catanzaro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as inhibition of hydrogen peroxide product...


Eur J Med Chem 48: 284-95 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.027
BindingDB Entry DOI: 10.7270/Q2JS9QW8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50361368
PNG
(CHEMBL1934041)
Show SMILES COc1ccc(CN=Nc2nc(cs2)-c2ccc(F)cc2)cc1OC |w:8.8|
Show InChI InChI=1S/C18H16FN3O2S/c1-23-16-8-3-12(9-17(16)24-2)10-20-22-18-21-15(11-25-18)13-4-6-14(19)7-5-13/h3-9,11H,10H2,1-2H3
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n/an/a 2.39E+3n/an/an/an/an/an/a



Universit£ degli Studi Magna Gr£cia di Catanzaro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as inhibition of hydrogen peroxide product...


Eur J Med Chem 48: 284-95 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.027
BindingDB Entry DOI: 10.7270/Q2JS9QW8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM29136
PNG
(CHEMBL92401 | Euphozid | Iprazid | Iproniazid)
Show SMILES CC(C)NNC(=O)c1ccncc1
Show InChI InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)
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PubMed
n/an/a 6.56E+3n/an/an/an/an/an/a



Universit£ degli Studi Magna Gr£cia di Catanzaro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as inhibition of hydrogen peroxide product...


Eur J Med Chem 48: 284-95 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.027
BindingDB Entry DOI: 10.7270/Q2JS9QW8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29136
PNG
(CHEMBL92401 | Euphozid | Iprazid | Iproniazid)
Show SMILES CC(C)NNC(=O)c1ccncc1
Show InChI InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)
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n/an/a 7.54E+3n/an/an/an/an/an/a



Universit£ degli Studi Magna Gr£cia di Catanzaro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as inhibition of hydrogen peroxide product...


Eur J Med Chem 48: 284-95 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.027
BindingDB Entry DOI: 10.7270/Q2JS9QW8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50361369
PNG
(CHEMBL1934042)
Show SMILES COc1ccc(CN=Nc2nc(cs2)-c2ccc(F)cc2)cc1 |w:8.8|
Show InChI InChI=1S/C17H14FN3OS/c1-22-15-8-2-12(3-9-15)10-19-21-17-20-16(11-23-17)13-4-6-14(18)7-5-13/h2-9,11H,10H2,1H3
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n/an/a 9.24E+3n/an/an/an/an/an/a



Universit£ degli Studi Magna Gr£cia di Catanzaro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as inhibition of hydrogen peroxide product...


Eur J Med Chem 48: 284-95 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.027
BindingDB Entry DOI: 10.7270/Q2JS9QW8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50361371
PNG
(CHEMBL1934044)
Show SMILES Cc1ccc(CN=Nc2nc(cs2)-c2ccc(F)cc2)cc1 |w:7.7|
Show InChI InChI=1S/C17H14FN3S/c1-12-2-4-13(5-3-12)10-19-21-17-20-16(11-22-17)14-6-8-15(18)9-7-14/h2-9,11H,10H2,1H3
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n/an/a 4.47E+4n/an/an/an/an/an/a



Universit£ degli Studi Magna Gr£cia di Catanzaro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as inhibition of hydrogen peroxide product...


Eur J Med Chem 48: 284-95 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.027
BindingDB Entry DOI: 10.7270/Q2JS9QW8
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 6.14E+4n/an/an/an/an/an/a



Universit£ degli Studi Magna Gr£cia di Catanzaro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as inhibition of hydrogen peroxide product...


Eur J Med Chem 48: 284-95 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.027
BindingDB Entry DOI: 10.7270/Q2JS9QW8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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n/an/a 6.73E+4n/an/an/an/an/an/a



Universit£ degli Studi Magna Gr£cia di Catanzaro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as inhibition of hydrogen peroxide product...


Eur J Med Chem 48: 284-95 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.027
BindingDB Entry DOI: 10.7270/Q2JS9QW8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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n/an/a 3.61E+5n/an/an/an/an/an/a



Universit£ degli Studi Magna Gr£cia di Catanzaro

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as inhibition of hydrogen peroxide product...


Eur J Med Chem 48: 284-95 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.027
BindingDB Entry DOI: 10.7270/Q2JS9QW8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%