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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] B' and Ligand = 'BDBM50075951'   
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))
BDBM50075951
PNG
(CHEMBL3415810)
Show SMILES Cl.CN(CC#C)CC(=C)c1ccccc1
Show InChI InChI=1S/C13H15N/c1-4-10-14(3)11-12(2)13-8-6-5-7-9-13/h1,5-9H,2,10-11H2,3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
60n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant MAO-B measured after longer preincubation


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


(Rattus norvegicus (rat))
BDBM50075951
PNG
(CHEMBL3415810)
Show SMILES Cl.CN(CC#C)CC(=C)c1ccccc1
Show InChI InChI=1S/C13H15N/c1-4-10-14(3)11-12(2)13-8-6-5-7-9-13/h1,5-9H,2,10-11H2,3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+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))
BDBM50075951
PNG
(CHEMBL3415810)
Show SMILES Cl.CN(CC#C)CC(=C)c1ccccc1
Show InChI InChI=1S/C13H15N/c1-4-10-14(3)11-12(2)13-8-6-5-7-9-13/h1,5-9H,2,10-11H2,3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+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