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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] A/B' and Ligand = 'BDBM15579'   
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))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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PubMed
n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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CHEMBL
MCE
KEGG
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PubMed
n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain mitochondrial Monoamine oxidase


J Med Chem 28: 186-93 (1985)


BindingDB Entry DOI: 10.7270/Q26M3910
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

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PubMed
n/an/a 280n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of deamination of dopamine (DA) by MAO at 5 x 10e-4 M


J Med Chem 35: 3705-13 (1992)


BindingDB Entry DOI: 10.7270/Q2GF0V4K
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A/B


(Rattus norvegicus (rat))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r|
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 650n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial 5-HT by displacing 2.5 uM of [14C]5-HT.


J Med Chem 26: 1036-42 (1983)


BindingDB Entry DOI: 10.7270/Q2K076FV
More data for this
Ligand-Target Pair