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BDBM50381226 PIPERIC ACID

SMILES: OC(=O)\C=C\C=C\c1ccc2OCOc2c1

InChI Key: InChIKey=RHBGITBPARBDPH-ZPUQHVIOSA-N

Data: 2 IC50  1 ITC

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50381226   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50381226
PNG
(PIPERIC ACID)
Show SMILES OC(=O)\C=C\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C12H10O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h1-7H,8H2,(H,13,14)/b3-1+,4-2+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEBI
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.36E+4n/an/an/an/an/an/a



General Hospital of PLA

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in Sprague-Dawley rat brain homogenate using kynuramine as substrate preincubated for 10 mins measured by fluorimetric assay


Bioorg Med Chem Lett 22: 3343-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.090
BindingDB Entry DOI: 10.7270/Q2JW8FWM
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50381226
PNG
(PIPERIC ACID)
Show SMILES OC(=O)\C=C\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C12H10O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h1-7H,8H2,(H,13,14)/b3-1+,4-2+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.83E+4n/an/an/an/an/an/a



General Hospital of PLA

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in Sprague-Dawley rat brain homogenate using kynuramine as substrate preincubated for 10 mins measured by fluorimetric assay


Bioorg Med Chem Lett 22: 3343-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.090
BindingDB Entry DOI: 10.7270/Q2JW8FWM
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50381226
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Lipoxygenase type I-B (LOX)

(Glycine max (Soybean))
BDBM50381226
JPEG
(PIPERIC ACID)
GoogleScholar
CHEBI
PC cid
PC sid
-8.10-4684615.94825



Kannur University, Thalassery Campus





Chem Biol Drug Des 85: 715-21 (2015)