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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 = 'BDBM50075953'   
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


(Rattus norvegicus (rat))
BDBM50075953
PNG
(CHEMBL3415805)
Show SMILES Cl.CN(CC#C)CC(=C)c1cccs1
Show InChI InChI=1S/C11H13NS/c1-4-7-12(3)9-10(2)11-6-5-8-13-11/h1,5-6,8H,2,7,9H2,3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B in nuclei-free homogenates using [14C]phenylacetaldehyde substrate after 20 mins by liquid scintillation counting


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50075953
PNG
(CHEMBL3415805)
Show SMILES Cl.CN(CC#C)CC(=C)c1cccs1
Show InChI InChI=1S/C11H13NS/c1-4-7-12(3)9-10(2)11-6-5-8-13-11/h1,5-6,8H,2,7,9H2,3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in Sf9 cells using 5-phenylacetaldehyde substrate assessed as hydrogen peroxide production after 1 hr...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair