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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 Ligand = 'BDBM50381960'   
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))
BDBM50381960
PNG
(CHEMBL2022927)
Show SMILES CN(CC#C)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C20H20N2O/c1-3-11-22(2)14-18-12-17-13-19(9-10-20(17)21-18)23-15-16-7-5-4-6-8-16/h1,4-10,12-13,21H,11,14-15H2,2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0250n/an/an/an/an/an/a



Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial MAO-B in rat liver homogenates using [14C]-phenylethylamine as substrate preincubated for 30 mins by liquid scintillation...


Eur J Med Chem 52: 251-62 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.022
BindingDB Entry DOI: 10.7270/Q25H7H97
More data for this
Ligand-Target Pair