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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 = 'BDBM50075949'   
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))
BDBM50075949
PNG
(CHEMBL3415819)
Show SMILES OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C14H16ClN/c1-5-8-16(4)10-12(3)13-6-7-14(15)11(2)9-13/h1,6-7,9H,3,8,10H2,2,4H3/p+1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50075949
PNG
(CHEMBL3415819)
Show SMILES OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C14H16ClN/c1-5-8-16(4)10-12(3)13-6-7-14(15)11(2)9-13/h1,6-7,9H,3,8,10H2,2,4H3/p+1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

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



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair