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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] A' and Ligand = 'BDBM50231956'   
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] A


(Homo sapiens (Human))
BDBM50231956
PNG
((Z)-8-bromo-4-methyl-3-(methylimino)-1,2,3,4-tetra...)
Show SMILES CN=C1CCc2c1n(C)c1ccc(OC(=O)N(C)C)c(Br)c21 |w:1.0|
Show InChI InChI=1S/C16H18BrN3O2/c1-18-10-6-5-9-13-11(20(4)15(9)10)7-8-12(14(13)17)22-16(21)19(2)3/h7-8H,5-6H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 540n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of MAOA


J Med Chem 51: 347-72 (2008)


Article DOI: 10.1021/jm7009364
BindingDB Entry DOI: 10.7270/Q25B039W
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50231956
PNG
((Z)-8-bromo-4-methyl-3-(methylimino)-1,2,3,4-tetra...)
Show SMILES CN=C1CCc2c1n(C)c1ccc(OC(=O)N(C)C)c(Br)c21 |w:1.0|
Show InChI InChI=1S/C16H18BrN3O2/c1-18-10-6-5-9-13-11(20(4)15(9)10)7-8-12(14(13)17)22-16(21)19(2)3/h7-8H,5-6H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 540n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-A(MAO-A).


Bioorg Med Chem Lett 6: 625-630 (1996)


Article DOI: 10.1016/0960-894X(96)00072-8
BindingDB Entry DOI: 10.7270/Q22J6BVC
More data for this
Ligand-Target Pair