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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Monoamine Oxidase Type B (MAO-B)' and Monomerid = 50116054   
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
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50116054
PNG
(CHEMBL67688 | N-((S)-3-{4-[(Z)-2-(3-Acetyl-phenyl)...)
Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/F)c2cccc(c2)C(C)=O)c(F)c1
Show InChI InChI=1S/C22H20F2N2O4/c1-13(27)15-4-3-5-16(8-15)20(23)9-17-6-7-18(10-21(17)24)26-12-19(30-22(26)29)11-25-14(2)28/h3-10,19H,11-12H2,1-2H3,(H,25,28)/b20-9-/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase B in rat primary hepatocytes


Bioorg Med Chem Lett 12: 2121-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00352-9
BindingDB Entry DOI: 10.7270/Q2XG9QFR
More data for this
Ligand-Target Pair