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PubMed code 21316817

Compile data set for download or QSAR
Found 14 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] 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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PubMed
n/an/a 15n/an/an/an/an/an/a



Universita degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in BTI-TN-5B1-4 cells assessed as H2O2 production using para-tyramine substrate by fluorimetric metho...


Eur J Med Chem 46: 1147-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.033
BindingDB Entry DOI: 10.7270/Q25H7GKD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50340653
PNG
(3-(Indol-3-yl)-7-methoxycoumarin | CHEMBL1761762)
Show SMILES COc1ccc2cc(-c3c[nH]c4ccccc34)c(=O)oc2c1
Show InChI InChI=1S/C18H13NO3/c1-21-12-7-6-11-8-14(18(20)22-17(11)9-12)15-10-19-16-5-3-2-4-13(15)16/h2-10,19H,1H3
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n/an/a 46n/an/an/an/an/an/a



Universita degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in BTI-TN-5B1-4 cells assessed as H2O2 production using para-tyramine substrate by fluorimetric metho...


Eur J Med Chem 46: 1147-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.033
BindingDB Entry DOI: 10.7270/Q25H7GKD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50340652
PNG
(7-Methoxy-3-(thiophen-3-yl)coumarin | CHEMBL176176...)
Show SMILES COc1ccc2cc(-c3ccsc3)c(=O)oc2c1
Show InChI InChI=1S/C14H10O3S/c1-16-11-3-2-9-6-12(10-4-5-18-8-10)14(15)17-13(9)7-11/h2-8H,1H3
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n/an/a 56n/an/an/an/an/an/a



Universita degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in BTI-TN-5B1-4 cells assessed as H2O2 production using para-tyramine substrate by fluorimetric metho...


Eur J Med Chem 46: 1147-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.033
BindingDB Entry DOI: 10.7270/Q25H7GKD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50340659
PNG
(6-Methoxy-3-(thiophen-3-yl)coumarin | CHEMBL176176...)
Show SMILES COc1ccc2oc(=O)c(cc2c1)-c1ccsc1
Show InChI InChI=1S/C14H10O3S/c1-16-11-2-3-13-10(6-11)7-12(14(15)17-13)9-4-5-18-8-9/h2-8H,1H3
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n/an/a 234n/an/an/an/an/an/a



Universita degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in BTI-TN-5B1-4 cells assessed as H2O2 production using para-tyramine substrate by fluorimetric metho...


Eur J Med Chem 46: 1147-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.033
BindingDB Entry DOI: 10.7270/Q25H7GKD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50340657
PNG
(7-Methoxy-3-(thiophen-2-yl)coumarin | CHEMBL176176...)
Show SMILES COc1ccc2cc(-c3cccs3)c(=O)oc2c1
Show InChI InChI=1S/C14H10O3S/c1-16-10-5-4-9-7-11(13-3-2-6-18-13)14(15)17-12(9)8-10/h2-8H,1H3
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n/an/a 263n/an/an/an/an/an/a



Universita degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in BTI-TN-5B1-4 cells assessed as H2O2 production using para-tyramine substrate by fluorimetric metho...


Eur J Med Chem 46: 1147-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.033
BindingDB Entry DOI: 10.7270/Q25H7GKD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50340658
PNG
(6-Methoxy-3-(thiophen-2-yl)coumarin | CHEMBL176176...)
Show SMILES COc1ccc2oc(=O)c(cc2c1)-c1cccs1
Show InChI InChI=1S/C14H10O3S/c1-16-10-4-5-12-9(7-10)8-11(14(15)17-12)13-3-2-6-18-13/h2-8H,1H3
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n/an/a 634n/an/an/an/an/an/a



Universita degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in BTI-TN-5B1-4 cells assessed as H2O2 production using para-tyramine substrate by fluorimetric metho...


Eur J Med Chem 46: 1147-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.033
BindingDB Entry DOI: 10.7270/Q25H7GKD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50340656
PNG
(3-(Indol-3-yl)coumarin | CHEMBL1761759)
Show SMILES O=c1oc2ccccc2cc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H11NO2/c19-17-13(9-11-5-1-4-8-16(11)20-17)14-10-18-15-7-3-2-6-12(14)15/h1-10,18H
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n/an/a 1.92E+3n/an/an/an/an/an/a



Universita degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in BTI-TN-5B1-4 cells assessed as H2O2 production using para-tyramine substrate by fluorimetric metho...


Eur J Med Chem 46: 1147-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.033
BindingDB Entry DOI: 10.7270/Q25H7GKD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50340652
PNG
(7-Methoxy-3-(thiophen-3-yl)coumarin | CHEMBL176176...)
Show SMILES COc1ccc2cc(-c3ccsc3)c(=O)oc2c1
Show InChI InChI=1S/C14H10O3S/c1-16-11-3-2-9-6-12(10-4-5-18-8-10)14(15)17-13(9)7-11/h2-8H,1H3
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n/an/a 4.16E+3n/an/an/an/an/an/a



Universita degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in BTI-TN-5B1-4 cells assessed as H2O2 production using para-tyramine substrate by fluorimetric metho...


Eur J Med Chem 46: 1147-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.033
BindingDB Entry DOI: 10.7270/Q25H7GKD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50340654
PNG
(3-(Thiophen-2-yl)coumarin | CHEMBL1761757)
Show SMILES O=c1oc2ccccc2cc1-c1cccs1
Show InChI InChI=1S/C13H8O2S/c14-13-10(12-6-3-7-16-12)8-9-4-1-2-5-11(9)15-13/h1-8H
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n/an/a 6.37E+3n/an/an/an/an/an/a



Universita degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in BTI-TN-5B1-4 cells assessed as H2O2 production using para-tyramine substrate by fluorimetric metho...


Eur J Med Chem 46: 1147-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.033
BindingDB Entry DOI: 10.7270/Q25H7GKD
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



Universita degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in BTI-TN-5B1-4 cells assessed as H2O2 production using para-tyramine substrate by fluorimetric metho...


Eur J Med Chem 46: 1147-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.033
BindingDB Entry DOI: 10.7270/Q25H7GKD
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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PubMed
n/an/a 7.54E+3n/an/an/an/an/an/a



Universita degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in BTI-TN-5B1-4 cells assessed as H2O2 production using para-tyramine substrate by fluorimetric metho...


Eur J Med Chem 46: 1147-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.033
BindingDB Entry DOI: 10.7270/Q25H7GKD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50340653
PNG
(3-(Indol-3-yl)-7-methoxycoumarin | CHEMBL1761762)
Show SMILES COc1ccc2cc(-c3c[nH]c4ccccc34)c(=O)oc2c1
Show InChI InChI=1S/C18H13NO3/c1-21-12-7-6-11-8-14(18(20)22-17(11)9-12)15-10-19-16-5-3-2-4-13(15)16/h2-10,19H,1H3
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n/an/a 9.67E+3n/an/an/an/an/an/a



Universita degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in BTI-TN-5B1-4 cells assessed as H2O2 production using para-tyramine substrate by fluorimetric metho...


Eur J Med Chem 46: 1147-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.033
BindingDB Entry DOI: 10.7270/Q25H7GKD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50340655
PNG
(3-(Thiophen-3-yl)coumarin | CHEMBL1761758)
Show SMILES O=c1oc2ccccc2cc1-c1ccsc1
Show InChI InChI=1S/C13H8O2S/c14-13-11(10-5-6-16-8-10)7-9-3-1-2-4-12(9)15-13/h1-8H
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n/an/a 1.33E+4n/an/an/an/an/an/a



Universita degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in BTI-TN-5B1-4 cells assessed as H2O2 production using para-tyramine substrate by fluorimetric metho...


Eur J Med Chem 46: 1147-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.033
BindingDB Entry DOI: 10.7270/Q25H7GKD
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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PubMed
n/an/a 6.73E+4n/an/an/an/an/an/a



Universita degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in BTI-TN-5B1-4 cells assessed as H2O2 production using para-tyramine substrate by fluorimetric metho...


Eur J Med Chem 46: 1147-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.033
BindingDB Entry DOI: 10.7270/Q25H7GKD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%