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PubMed code 22137786

Compile data set for download or QSAR
Found 9 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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Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells assessed as using transformed p-tyramine after 15 mins by flu...


Bioorg Med Chem Lett 22: 258-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.020
BindingDB Entry DOI: 10.7270/Q2TH8N4X
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50360811
PNG
(CHEMBL1934677)
Show SMILES COc1ccc(cc1Cl)-c1c(O)c2cc(Cl)ccc2oc1=O
Show InChI InChI=1S/C16H10Cl2O4/c1-21-13-4-2-8(6-11(13)18)14-15(19)10-7-9(17)3-5-12(10)22-16(14)20/h2-7,19H,1H3
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PubMed
n/an/a 2.79E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells assessed as using transformed p-tyramine after 15 mins by flu...


Bioorg Med Chem Lett 22: 258-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.020
BindingDB Entry DOI: 10.7270/Q2TH8N4X
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 di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in baculovirus-infected BTI insect cells assessed as conversion of p-tyramine into p-hydroxyphenyl-ace...


Bioorg Med Chem Lett 22: 258-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.020
BindingDB Entry DOI: 10.7270/Q2TH8N4X
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



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells assessed as using transformed p-tyramine after 15 mins by flu...


Bioorg Med Chem Lett 22: 258-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.020
BindingDB Entry DOI: 10.7270/Q2TH8N4X
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50360809
PNG
(CHEMBL1934675)
Show SMILES COc1ccc(cc1Cl)-c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C16H11ClO4/c1-20-13-7-6-9(8-11(13)17)14-15(18)10-4-2-3-5-12(10)21-16(14)19/h2-8,18H,1H3
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PubMed
n/an/a 9.26E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells assessed as using transformed p-tyramine after 15 mins by flu...


Bioorg Med Chem Lett 22: 258-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.020
BindingDB Entry DOI: 10.7270/Q2TH8N4X
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50360808
PNG
(CHEMBL1934673)
Show SMILES COc1ccc(cc1)-c1c(O)c2cc(C)ccc2oc1=O
Show InChI InChI=1S/C17H14O4/c1-10-3-8-14-13(9-10)16(18)15(17(19)21-14)11-4-6-12(20-2)7-5-11/h3-9,18H,1-2H3
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PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells assessed as using transformed p-tyramine after 15 mins by flu...


Bioorg Med Chem Lett 22: 258-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.020
BindingDB Entry DOI: 10.7270/Q2TH8N4X
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50360810
PNG
(CHEMBL1934676)
Show SMILES COc1ccc(cc1Cl)-c1c(O)c2cc(C)ccc2oc1=O
Show InChI InChI=1S/C17H13ClO4/c1-9-3-5-13-11(7-9)16(19)15(17(20)22-13)10-4-6-14(21-2)12(18)8-10/h3-8,19H,1-2H3
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Article
PubMed
n/an/a 4.27E+4n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells assessed as using transformed p-tyramine after 15 mins by flu...


Bioorg Med Chem Lett 22: 258-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.020
BindingDB Entry DOI: 10.7270/Q2TH8N4X
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
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Article
PubMed
n/an/a 6.87E+4n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in baculovirus-infected BTI insect cells assessed as conversion of p-tyramine into p-hydroxyphenyl-ace...


Bioorg Med Chem Lett 22: 258-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.020
BindingDB Entry DOI: 10.7270/Q2TH8N4X
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50360807
PNG
(CHEMBL1917495)
Show SMILES COc1ccc(cc1)-c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C16H12O4/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)20-16(14)18/h2-9,17H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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Article
PubMed
n/an/a 6.96E+4n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells assessed as using transformed p-tyramine after 15 mins by flu...


Bioorg Med Chem Lett 22: 258-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.020
BindingDB Entry DOI: 10.7270/Q2TH8N4X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%