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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 = 50116061   
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))
BDBM50116061
PNG
(CHEMBL68078 | N-((S)-3-{4-[(Z)-2-(3-Cyano-phenyl)-...)
Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/F)c2cccc(c2)C#N)c(F)c1
Show InChI InChI=1S/C21H17F2N3O3/c1-13(27)25-11-18-12-26(21(28)29-18)17-6-5-16(20(23)9-17)8-19(22)15-4-2-3-14(7-15)10-24/h2-9,18H,11-12H2,1H3,(H,25,27)/b19-8-/t18-/m0/s1
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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