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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 = 'BDBM50299457'   
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))
BDBM50299457
PNG
(CHEMBL575093 | {7-[(3-Chlorobenzyl)oxy]-2-oxo-2H-c...)
Show SMILES Clc1cccc(COc2ccc3c(CC#N)cc(=O)oc3c2)c1
Show InChI InChI=1S/C18H12ClNO3/c19-14-3-1-2-12(8-14)11-22-15-4-5-16-13(6-7-20)9-18(21)23-17(16)10-15/h1-5,8-10H,6,11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat MAO-B in brain mitochondrial homogenate assessed as 4-hydroxyquinoline by spectrophotometric method


Eur J Med Chem 89: 98-105 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.029
BindingDB Entry DOI: 10.7270/Q2FX7C3H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50299457
PNG
(CHEMBL575093 | {7-[(3-Chlorobenzyl)oxy]-2-oxo-2H-c...)
Show SMILES Clc1cccc(COc2ccc3c(CC#N)cc(=O)oc3c2)c1
Show InChI InChI=1S/C18H12ClNO3/c19-14-3-1-2-12(8-14)11-22-15-4-5-16-13(6-7-20)9-18(21)23-17(16)10-15/h1-5,8-10H,6,11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat MAO-B using Kynuramine as substrate assessed as formation of 4-hydroxyquinoline preincubated for 5 mins prior to sub...


Eur J Med Chem 70: 723-39 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.034
BindingDB Entry DOI: 10.7270/Q2WM1HCD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50299457
PNG
(CHEMBL575093 | {7-[(3-Chlorobenzyl)oxy]-2-oxo-2H-c...)
Show SMILES Clc1cccc(COc2ccc3c(CC#N)cc(=O)oc3c2)c1
Show InChI InChI=1S/C18H12ClNO3/c19-14-3-1-2-12(8-14)11-22-15-4-5-16-13(6-7-20)9-18(21)23-17(16)10-15/h1-5,8-10H,6,11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Inhibition of MAO-B from Wistar rat brain by radioenzymatic assay


J Med Chem 52: 6685-706 (2009)


Article DOI: 10.1021/jm9010127
BindingDB Entry DOI: 10.7270/Q2DR2VJ6
More data for this
Ligand-Target Pair