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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 = 'BDBM50307370'   
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))
BDBM50307370
PNG
((+/-)-2-(4'-Ethoxyphenyl)thiomorpholine | CHEMBL59...)
Show SMILES CCOc1ccc(cc1)C1CNCCS1
Show InChI InChI=1S/C12H17NOS/c1-2-14-11-5-3-10(4-6-11)12-9-13-7-8-15-12/h3-6,12-13H,2,7-9H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10E+3n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by spectrophotometrically


Bioorg Med Chem 18: 1388-95 (2010)


Article DOI: 10.1016/j.bmc.2010.01.029
BindingDB Entry DOI: 10.7270/Q2T72JD7
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50307370
PNG
((+/-)-2-(4'-Ethoxyphenyl)thiomorpholine | CHEMBL59...)
Show SMILES CCOc1ccc(cc1)C1CNCCS1
Show InChI InChI=1S/C12H17NOS/c1-2-14-11-5-3-10(4-6-11)12-9-13-7-8-15-12/h3-6,12-13H,2,7-9H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.17E+3n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Inhibition of MAOB in rat brain mitochondrial suspension


Bioorg Med Chem 18: 1388-95 (2010)


Article DOI: 10.1016/j.bmc.2010.01.029
BindingDB Entry DOI: 10.7270/Q2T72JD7
More data for this
Ligand-Target Pair