BindingDB logo
myBDB logout

PubMed code 24165164

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))
BDBM108063
PNG
(2‐({4‐[(3‐ aminopropyl)(benzyl)a...)
Show SMILES NCCCN(CCCC=Nc1cc(O)c2ccccc2c1O)Cc1ccccc1 |w:9.9|
Show InChI InChI=1S/C24H29N3O2/c25-13-8-16-27(18-19-9-2-1-3-10-19)15-7-6-14-26-22-17-23(28)20-11-4-5-12-21(20)24(22)29/h1-5,9-12,14,17,28-29H,6-8,13,15-16,18,25H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.20E+4 -29.2n/an/an/an/an/a7.437



Institute of Chemistry, Federal University of Rio de Janeiro, Rio de Janeiro, 21941-909, Brazil.



Assay Description
The reaction mixture (final volume 200 µL) contained 5 µg/mL MAO-A or MAO-B in a 50 mM sodium phosphate buffer pH 7.4, 1 mM p-tyramine (sub...


Chem Biol Drug Des 83: 401-10 (2014)


Article DOI: 10.1111/cbdd.12255
BindingDB Entry DOI: 10.7270/Q2K072W1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM108061
PNG
(Nor-lapachol)
Show SMILES CC(C)C=C1C(=O)C(=O)c2ccccc2C1=O |w:3.2|
Show InChI InChI=1S/C14H12O3/c1-8(2)7-11-12(15)9-5-3-4-6-10(9)13(16)14(11)17/h3-8H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.80E+4 -28.2n/an/an/an/an/a7.437



Institute of Chemistry, Federal University of Rio de Janeiro, Rio de Janeiro, 21941-909, Brazil.



Assay Description
The reaction mixture (final volume 200 µL) contained 5 µg/mL MAO-A or MAO-B in a 50 mM sodium phosphate buffer pH 7.4, 1 mM p-tyramine (sub...


Chem Biol Drug Des 83: 401-10 (2014)


Article DOI: 10.1111/cbdd.12255
BindingDB Entry DOI: 10.7270/Q2K072W1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM108062
PNG
(2‐({4‐[(3‐aminopropyl)(benzyl)am...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c2ccccc2c(-[#8])c1-[#7]=[#6]-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7])-[#6]-c1ccccc1 |w:17.18|
Show InChI InChI=1S/C29H37N3O2/c1-22(2)15-16-26-27(29(34)25-14-7-6-13-24(25)28(26)33)31-18-8-9-19-32(20-10-17-30)21-23-11-4-3-5-12-23/h3-7,11-15,18,33-34H,8-10,16-17,19-21,30H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.20E+4 -27.7n/an/an/an/an/a7.437



Institute of Chemistry, Federal University of Rio de Janeiro, Rio de Janeiro, 21941-909, Brazil.



Assay Description
The reaction mixture (final volume 200 µL) contained 5 µg/mL MAO-A or MAO-B in a 50 mM sodium phosphate buffer pH 7.4, 1 mM p-tyramine (sub...


Chem Biol Drug Des 83: 401-10 (2014)


Article DOI: 10.1111/cbdd.12255
BindingDB Entry DOI: 10.7270/Q2K072W1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM108063
PNG
(2‐({4‐[(3‐ aminopropyl)(benzyl)a...)
Show SMILES NCCCN(CCCC=Nc1cc(O)c2ccccc2c1O)Cc1ccccc1 |w:9.9|
Show InChI InChI=1S/C24H29N3O2/c25-13-8-16-27(18-19-9-2-1-3-10-19)15-7-6-14-26-22-17-23(28)20-11-4-5-12-21(20)24(22)29/h1-5,9-12,14,17,28-29H,6-8,13,15-16,18,25H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.80E+4 -27.0n/an/an/an/an/a7.437



Institute of Chemistry, Federal University of Rio de Janeiro, Rio de Janeiro, 21941-909, Brazil.



Assay Description
The reaction mixture (final volume 200 µL) contained 5 µg/mL MAO-A or MAO-B in a 50 mM sodium phosphate buffer pH 7.4, 1 mM p-tyramine (sub...


Chem Biol Drug Des 83: 401-10 (2014)


Article DOI: 10.1111/cbdd.12255
BindingDB Entry DOI: 10.7270/Q2K072W1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM108061
PNG
(Nor-lapachol)
Show SMILES CC(C)C=C1C(=O)C(=O)c2ccccc2C1=O |w:3.2|
Show InChI InChI=1S/C14H12O3/c1-8(2)7-11-12(15)9-5-3-4-6-10(9)13(16)14(11)17/h3-8H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.50E+4 -26.5n/an/an/an/an/a7.437



Institute of Chemistry, Federal University of Rio de Janeiro, Rio de Janeiro, 21941-909, Brazil.



Assay Description
The reaction mixture (final volume 200 µL) contained 5 µg/mL MAO-A or MAO-B in a 50 mM sodium phosphate buffer pH 7.4, 1 mM p-tyramine (sub...


Chem Biol Drug Des 83: 401-10 (2014)


Article DOI: 10.1111/cbdd.12255
BindingDB Entry DOI: 10.7270/Q2K072W1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM108062
PNG
(2‐({4‐[(3‐aminopropyl)(benzyl)am...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c2ccccc2c(-[#8])c1-[#7]=[#6]-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7])-[#6]-c1ccccc1 |w:17.18|
Show InChI InChI=1S/C29H37N3O2/c1-22(2)15-16-26-27(29(34)25-14-7-6-13-24(25)28(26)33)31-18-8-9-19-32(20-10-17-30)21-23-11-4-3-5-12-23/h3-7,11-15,18,33-34H,8-10,16-17,19-21,30H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.00E+4 -26.1n/an/an/an/an/a7.437



Institute of Chemistry, Federal University of Rio de Janeiro, Rio de Janeiro, 21941-909, Brazil.



Assay Description
The reaction mixture (final volume 200 µL) contained 5 µg/mL MAO-A or MAO-B in a 50 mM sodium phosphate buffer pH 7.4, 1 mM p-tyramine (sub...


Chem Biol Drug Des 83: 401-10 (2014)


Article DOI: 10.1111/cbdd.12255
BindingDB Entry DOI: 10.7270/Q2K072W1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM108064
PNG
(2‐({4‐[(3‐aminopropyl)(benzyl)am...)
Show SMILES [#6]\[#6](-[#6])=[#6]\c1c(-[#8])c2ccccc2c(-[#8])c1-[#7]=[#6]-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7])-[#6]-c1ccccc1 |w:16.17|
Show InChI InChI=1S/C28H35N3O2/c1-21(2)19-25-26(28(33)24-14-7-6-13-23(24)27(25)32)30-16-8-9-17-31(18-10-15-29)20-22-11-4-3-5-12-22/h3-7,11-14,16,19,32-33H,8-10,15,17-18,20,29H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.80E+4 -25.2n/an/an/an/an/a7.437



Institute of Chemistry, Federal University of Rio de Janeiro, Rio de Janeiro, 21941-909, Brazil.



Assay Description
The reaction mixture (final volume 200 µL) contained 5 µg/mL MAO-A or MAO-B in a 50 mM sodium phosphate buffer pH 7.4, 1 mM p-tyramine (sub...


Chem Biol Drug Des 83: 401-10 (2014)


Article DOI: 10.1111/cbdd.12255
BindingDB Entry DOI: 10.7270/Q2K072W1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM108060
PNG
(4-hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,2-di...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1-[#6](=O)-[#6](=O)-c2ccccc2-[#6]-1=O
Show InChI InChI=1S/C15H14O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,12H,8H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.90E+4 -25.1n/an/an/an/an/a7.437



Institute of Chemistry, Federal University of Rio de Janeiro, Rio de Janeiro, 21941-909, Brazil.



Assay Description
The reaction mixture (final volume 200 µL) contained 5 µg/mL MAO-A or MAO-B in a 50 mM sodium phosphate buffer pH 7.4, 1 mM p-tyramine (sub...


Chem Biol Drug Des 83: 401-10 (2014)


Article DOI: 10.1111/cbdd.12255
BindingDB Entry DOI: 10.7270/Q2K072W1
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM108064
PNG
(2‐({4‐[(3‐aminopropyl)(benzyl)am...)
Show SMILES [#6]\[#6](-[#6])=[#6]\c1c(-[#8])c2ccccc2c(-[#8])c1-[#7]=[#6]-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7])-[#6]-c1ccccc1 |w:16.17|
Show InChI InChI=1S/C28H35N3O2/c1-21(2)19-25-26(28(33)24-14-7-6-13-23(24)27(25)32)30-16-8-9-17-31(18-10-15-29)20-22-11-4-3-5-12-22/h3-7,11-14,16,19,32-33H,8-10,15,17-18,20,29H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.30E+4 -24.9n/an/an/an/an/a7.437



Institute of Chemistry, Federal University of Rio de Janeiro, Rio de Janeiro, 21941-909, Brazil.



Assay Description
The reaction mixture (final volume 200 µL) contained 5 µg/mL MAO-A or MAO-B in a 50 mM sodium phosphate buffer pH 7.4, 1 mM p-tyramine (sub...


Chem Biol Drug Des 83: 401-10 (2014)


Article DOI: 10.1111/cbdd.12255
BindingDB Entry DOI: 10.7270/Q2K072W1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%