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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 = 'BDBM50049694'   
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


(Rattus norvegicus (rat))
BDBM50049694
PNG
(3-(4,5-Dihydro-1H-imidazol-2-yl)-10,10-dioxo-10H-1...)
Show SMILES O=C1c2ccccc2S(=O)(=O)c2cc(ccc12)C1=NCCN1 |t:20|
Show InChI InChI=1S/C16H12N2O3S/c19-15-11-3-1-2-4-13(11)22(20,21)14-9-10(5-6-12(14)15)16-17-7-8-18-16/h1-6,9H,7-8H2,(H,17,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
80n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Ex vivo value for inhibition of MAO A of rats sacrificed 2 hr after po administration


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50049694
PNG
(3-(4,5-Dihydro-1H-imidazol-2-yl)-10,10-dioxo-10H-1...)
Show SMILES O=C1c2ccccc2S(=O)(=O)c2cc(ccc12)C1=NCCN1 |t:20|
Show InChI InChI=1S/C16H12N2O3S/c19-15-11-3-1-2-4-13(11)22(20,21)14-9-10(5-6-12(14)15)16-17-7-8-18-16/h1-6,9H,7-8H2,(H,17,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain mitochondrial monoamine oxidase A


J Med Chem 39: 1857-63 (1996)


Article DOI: 10.1021/jm950595m
BindingDB Entry DOI: 10.7270/Q2TM796B
More data for this
Ligand-Target Pair