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PubMed code 17521909

Compile data set for download or QSAR
Found 15 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))
BDBM50213678
PNG
((S)-2-amino-1-(4-butylthiophenyl)-propane | CHEMBL...)
Show SMILES CCCCSc1ccc(C[C@H](C)N)cc1
Show InChI InChI=1S/C13H21NS/c1-3-4-9-15-13-7-5-12(6-8-13)10-11(2)14/h5-8,11H,3-4,9-10,14H2,1-2H3/t11-/m0/s1
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PubMed
22n/an/an/an/an/an/an/an/a



University of Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris


Bioorg Med Chem 15: 5198-206 (2007)


Article DOI: 10.1016/j.bmc.2007.05.021
BindingDB Entry DOI: 10.7270/Q2DN44RX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50213677
PNG
((S)-2-amino-1-(4-propylthiophenyl)-propane | CHEMB...)
Show SMILES CCCSc1ccc(C[C@H](C)N)cc1
Show InChI InChI=1S/C12H19NS/c1-3-8-14-12-6-4-11(5-7-12)9-10(2)13/h4-7,10H,3,8-9,13H2,1-2H3/t10-/m0/s1
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30n/an/an/an/an/an/an/an/a



University of Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris


Bioorg Med Chem 15: 5198-206 (2007)


Article DOI: 10.1016/j.bmc.2007.05.021
BindingDB Entry DOI: 10.7270/Q2DN44RX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50213676
PNG
((S)-2-amino-1-(4-ethylthiophenyl)-propane | CHEMBL...)
Show SMILES CCSc1ccc(C[C@H](C)N)cc1
Show InChI InChI=1S/C11H17NS/c1-3-13-11-6-4-10(5-7-11)8-9(2)12/h4-7,9H,3,8,12H2,1-2H3/t9-/m0/s1
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54n/an/an/an/an/an/an/an/a



University of Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAOA


Bioorg Med Chem 15: 5198-206 (2007)


Article DOI: 10.1016/j.bmc.2007.05.021
BindingDB Entry DOI: 10.7270/Q2DN44RX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50213676
PNG
((S)-2-amino-1-(4-ethylthiophenyl)-propane | CHEMBL...)
Show SMILES CCSc1ccc(C[C@H](C)N)cc1
Show InChI InChI=1S/C11H17NS/c1-3-13-11-6-4-10(5-7-11)8-9(2)12/h4-7,9H,3,8,12H2,1-2H3/t9-/m0/s1
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PubMed
75n/an/an/an/an/an/an/an/a



University of Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris


Bioorg Med Chem 15: 5198-206 (2007)


Article DOI: 10.1016/j.bmc.2007.05.021
BindingDB Entry DOI: 10.7270/Q2DN44RX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50213677
PNG
((S)-2-amino-1-(4-propylthiophenyl)-propane | CHEMB...)
Show SMILES CCCSc1ccc(C[C@H](C)N)cc1
Show InChI InChI=1S/C12H19NS/c1-3-8-14-12-6-4-11(5-7-12)9-10(2)13/h4-7,10H,3,8-9,13H2,1-2H3/t10-/m0/s1
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PubMed
115n/an/an/an/an/an/an/an/a



University of Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAOA


Bioorg Med Chem 15: 5198-206 (2007)


Article DOI: 10.1016/j.bmc.2007.05.021
BindingDB Entry DOI: 10.7270/Q2DN44RX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50213675
PNG
((S)-2-amino-1-(4-methylthiophenyl)-propane | CHEMB...)
Show SMILES CSc1ccc(C[C@H](C)N)cc1
Show InChI InChI=1S/C10H15NS/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3/t8-/m0/s1
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PubMed
133n/an/an/an/an/an/an/an/a



University of Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris


Bioorg Med Chem 15: 5198-206 (2007)


Article DOI: 10.1016/j.bmc.2007.05.021
BindingDB Entry DOI: 10.7270/Q2DN44RX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50213675
PNG
((S)-2-amino-1-(4-methylthiophenyl)-propane | CHEMB...)
Show SMILES CSc1ccc(C[C@H](C)N)cc1
Show InChI InChI=1S/C10H15NS/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3/t8-/m0/s1
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PubMed
245n/an/an/an/an/an/an/an/a



University of Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAOA


Bioorg Med Chem 15: 5198-206 (2007)


Article DOI: 10.1016/j.bmc.2007.05.021
BindingDB Entry DOI: 10.7270/Q2DN44RX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50213678
PNG
((S)-2-amino-1-(4-butylthiophenyl)-propane | CHEMBL...)
Show SMILES CCCCSc1ccc(C[C@H](C)N)cc1
Show InChI InChI=1S/C13H21NS/c1-3-4-9-15-13-7-5-12(6-8-13)10-11(2)14/h5-8,11H,3-4,9-10,14H2,1-2H3/t11-/m0/s1
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PubMed
392n/an/an/an/an/an/an/an/a



University of Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAOA


Bioorg Med Chem 15: 5198-206 (2007)


Article DOI: 10.1016/j.bmc.2007.05.021
BindingDB Entry DOI: 10.7270/Q2DN44RX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50213678
PNG
((S)-2-amino-1-(4-butylthiophenyl)-propane | CHEMBL...)
Show SMILES CCCCSc1ccc(C[C@H](C)N)cc1
Show InChI InChI=1S/C13H21NS/c1-3-4-9-15-13-7-5-12(6-8-13)10-11(2)14/h5-8,11H,3-4,9-10,14H2,1-2H3/t11-/m0/s1
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PubMed
4.58E+3n/an/an/an/an/an/an/an/a



University of Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris


Bioorg Med Chem 15: 5198-206 (2007)


Article DOI: 10.1016/j.bmc.2007.05.021
BindingDB Entry DOI: 10.7270/Q2DN44RX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50213678
PNG
((S)-2-amino-1-(4-butylthiophenyl)-propane | CHEMBL...)
Show SMILES CCCCSc1ccc(C[C@H](C)N)cc1
Show InChI InChI=1S/C13H21NS/c1-3-4-9-15-13-7-5-12(6-8-13)10-11(2)14/h5-8,11H,3-4,9-10,14H2,1-2H3/t11-/m0/s1
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PubMed
8.93E+3n/an/an/an/an/an/an/an/a



University of Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAOB


Bioorg Med Chem 15: 5198-206 (2007)


Article DOI: 10.1016/j.bmc.2007.05.021
BindingDB Entry DOI: 10.7270/Q2DN44RX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50213677
PNG
((S)-2-amino-1-(4-propylthiophenyl)-propane | CHEMB...)
Show SMILES CCCSc1ccc(C[C@H](C)N)cc1
Show InChI InChI=1S/C12H19NS/c1-3-8-14-12-6-4-11(5-7-12)9-10(2)13/h4-7,10H,3,8-9,13H2,1-2H3/t10-/m0/s1
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PubMed
1.40E+4n/an/an/an/an/an/an/an/a



University of Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris


Bioorg Med Chem 15: 5198-206 (2007)


Article DOI: 10.1016/j.bmc.2007.05.021
BindingDB Entry DOI: 10.7270/Q2DN44RX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50213676
PNG
((S)-2-amino-1-(4-ethylthiophenyl)-propane | CHEMBL...)
Show SMILES CCSc1ccc(C[C@H](C)N)cc1
Show InChI InChI=1S/C11H17NS/c1-3-13-11-6-4-10(5-7-11)8-9(2)12/h4-7,9H,3,8,12H2,1-2H3/t9-/m0/s1
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PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



University of Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAOB


Bioorg Med Chem 15: 5198-206 (2007)


Article DOI: 10.1016/j.bmc.2007.05.021
BindingDB Entry DOI: 10.7270/Q2DN44RX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50213675
PNG
((S)-2-amino-1-(4-methylthiophenyl)-propane | CHEMB...)
Show SMILES CSc1ccc(C[C@H](C)N)cc1
Show InChI InChI=1S/C10H15NS/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3/t8-/m0/s1
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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



University of Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAOB


Bioorg Med Chem 15: 5198-206 (2007)


Article DOI: 10.1016/j.bmc.2007.05.021
BindingDB Entry DOI: 10.7270/Q2DN44RX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50213676
PNG
((S)-2-amino-1-(4-ethylthiophenyl)-propane | CHEMBL...)
Show SMILES CCSc1ccc(C[C@H](C)N)cc1
Show InChI InChI=1S/C11H17NS/c1-3-13-11-6-4-10(5-7-11)8-9(2)12/h4-7,9H,3,8,12H2,1-2H3/t9-/m0/s1
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PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



University of Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris


Bioorg Med Chem 15: 5198-206 (2007)


Article DOI: 10.1016/j.bmc.2007.05.021
BindingDB Entry DOI: 10.7270/Q2DN44RX
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50213677
PNG
((S)-2-amino-1-(4-propylthiophenyl)-propane | CHEMB...)
Show SMILES CCCSc1ccc(C[C@H](C)N)cc1
Show InChI InChI=1S/C12H19NS/c1-3-8-14-12-6-4-11(5-7-12)9-10(2)13/h4-7,10H,3,8-9,13H2,1-2H3/t10-/m0/s1
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Article
PubMed
1.50E+7n/an/an/an/an/an/an/an/a



University of Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAOB


Bioorg Med Chem 15: 5198-206 (2007)


Article DOI: 10.1016/j.bmc.2007.05.021
BindingDB Entry DOI: 10.7270/Q2DN44RX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%