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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50027791   
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


(Homo sapiens (Human))
BDBM50246766
PNG
(CHEMBL489079 | Mofegiline | US9302986, Mofegiline)
Show SMILES NC\C(CCc1ccc(F)cc1)=C\F
Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
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Article
PubMed
28n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris by kinetic assay


J Med Chem 51: 8019-26 (2008)


Article DOI: 10.1021/jm8011867
BindingDB Entry DOI: 10.7270/Q2542NGF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50246766
PNG
(CHEMBL489079 | Mofegiline | US9302986, Mofegiline)
Show SMILES NC\C(CCc1ccc(F)cc1)=C\F
Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
MCE
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PC sid
UniChem

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Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris by kinetic assay


J Med Chem 51: 8019-26 (2008)


Article DOI: 10.1021/jm8011867
BindingDB Entry DOI: 10.7270/Q2542NGF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50113840
PNG
(4-Phenyl-butylamine | 4-phenylbutylamine | CHEMBL7...)
Show SMILES NCCCCc1ccccc1
Show InChI InChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2
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antibodypedia
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Similars

Article
PubMed
3.10E+4n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of human MAOA


J Med Chem 51: 8019-26 (2008)


Article DOI: 10.1021/jm8011867
BindingDB Entry DOI: 10.7270/Q2542NGF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50246766
PNG
(CHEMBL489079 | Mofegiline | US9302986, Mofegiline)
Show SMILES NC\C(CCc1ccc(F)cc1)=C\F
Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of rat membrane MAOB


J Med Chem 51: 8019-26 (2008)


Article DOI: 10.1021/jm8011867
BindingDB Entry DOI: 10.7270/Q2542NGF
More data for this
Ligand-Target Pair