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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/B' and Ligand = 'BDBM50025086'   
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/B


(Rattus norvegicus (rat))
BDBM50025086
PNG
(1-Methyl-2-(4-methyl-2,3-dihydro-1H-indol-5-yl)-et...)
Show SMILES CC(N)Cc1ccc2NCCc2c1C
Show InChI InChI=1S/C12H18N2/c1-8(13)7-10-3-4-12-11(9(10)2)5-6-14-12/h3-4,8,14H,5-7,13H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of MAO by using [14C]5-HT as substrate in rat brain mitochondrial preparation


J Med Chem 29: 1406-12 (1986)


BindingDB Entry DOI: 10.7270/Q29022S9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM50025086
PNG
(1-Methyl-2-(4-methyl-2,3-dihydro-1H-indol-5-yl)-et...)
Show SMILES CC(N)Cc1ccc2NCCc2c1C
Show InChI InChI=1S/C12H18N2/c1-8(13)7-10-3-4-12-11(9(10)2)5-6-14-12/h3-4,8,14H,5-7,13H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for inhibition of MAO by using [14C]phenylethylamine as substrate in rat brain mitochondrial preparation


J Med Chem 29: 1406-12 (1986)


BindingDB Entry DOI: 10.7270/Q29022S9
More data for this
Ligand-Target Pair