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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] B' and Ligand = 'BDBM50467507'   
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))
BDBM50467507
PNG
(CHEMBL4292235)
Show SMILES CN(C)CCOC(=O)\C=C\c1ccc2oc(cc(=O)c2c1)C(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C24H24N2O5/c1-16-4-8-18(9-5-16)25-24(29)22-15-20(27)19-14-17(6-10-21(19)31-22)7-11-23(28)30-13-12-26(2)3/h4-11,14-15H,12-13H2,1-3H3,(H,25,29)/b11-7+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
478n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of human recombinant microsomal MAOB expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as subs...


Eur J Med Chem 158: 781-800 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.056
BindingDB Entry DOI: 10.7270/Q2F192DM
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50467507
PNG
(CHEMBL4292235)
Show SMILES CN(C)CCOC(=O)\C=C\c1ccc2oc(cc(=O)c2c1)C(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C24H24N2O5/c1-16-4-8-18(9-5-16)25-24(29)22-15-20(27)19-14-17(6-10-21(19)31-22)7-11-23(28)30-13-12-26(2)3/h4-11,14-15H,12-13H2,1-3H3,(H,25,29)/b11-7+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.81E+3n/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate assessed as decrease in H2O2...


Eur J Med Chem 158: 781-800 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.056
BindingDB Entry DOI: 10.7270/Q2F192DM
More data for this
Ligand-Target Pair