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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 = 50116058   
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))
BDBM50116058
PNG
(4-((Z)-2-{4-[(S)-5-(Acetylamino-methyl)-2-oxo-oxaz...)
Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/Br)c2c(C)oc[n+]2C)c(F)c1
Show InChI InChI=1S/C19H19BrFN3O4/c1-11-18(23(3)10-27-11)16(20)6-13-4-5-14(7-17(13)21)24-9-15(28-19(24)26)8-22-12(2)25/h4-7,10,15H,8-9H2,1-3H3/p+1/b16-6-/t15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+4n/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