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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 = 'BDBM50359397'   
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))
BDBM50359397
PNG
(CHEMBL1929419 | US8999994, 4)
Show SMILES CN(CC#C)Cc1cc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C27H33N3O/c1-4-14-28(2)20-25-17-24-18-26(10-11-27(24)29(25)3)31-21-23-12-15-30(16-13-23)19-22-8-6-5-7-9-22/h1,5-11,17-18,23H,12-16,19-21H2,2-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 750n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial MAO-B using [14C]-phenylethylamine after 30 mins by scintillation counting


J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50359397
PNG
(CHEMBL1929419 | US8999994, 4)
Show SMILES CN(CC#C)Cc1cc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C27H33N3O/c1-4-14-28(2)20-25-17-24-18-26(10-11-27(24)29(25)3)31-21-23-12-15-30(16-13-23)19-22-8-6-5-7-9-22/h1,5-11,17-18,23H,12-16,19-21H2,2-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7.45E+5n/an/an/an/a7.437



Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona

US Patent


Assay Description
The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...


US Patent US8999994 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86CM
More data for this
Ligand-Target Pair