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BDBM50428629 CHEMBL2331563

SMILES: Oc1ccc(C=CC(=O)CC(=O)c2ccccc2O)cc1O

InChI Key: InChIKey=YYZNXURUXANAIN-FNORWQNLSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50428629   
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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50428629
PNG
(CHEMBL2331563)
Show SMILES Oc1ccc(C=CC(=O)CC(=O)c2ccccc2O)cc1O
Show InChI InChI=1S/C17H14O5/c18-12(7-5-11-6-8-15(20)17(22)9-11)10-16(21)13-3-1-2-4-14(13)19/h1-9,19-20,22H,10H2/b7-5+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 431n/an/an/an/an/an/a



Sapienza - Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BT1-TN-5B1-4 cells assessed as inhibition of production of hydrogen peroxide ...


Eur J Med Chem 59: 91-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.006
BindingDB Entry DOI: 10.7270/Q2T43VFR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50428629
PNG
(CHEMBL2331563)
Show SMILES Oc1ccc(C=CC(=O)CC(=O)c2ccccc2O)cc1O
Show InChI InChI=1S/C17H14O5/c18-12(7-5-11-6-8-15(20)17(22)9-11)10-16(21)13-3-1-2-4-14(13)19/h1-9,19-20,22H,10H2/b7-5+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 654n/an/an/an/an/an/a



Sapienza - Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BT1-TN-5B1-4 cells assessed as inhibition of production of hydrogen peroxide ...


Eur J Med Chem 59: 91-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.006
BindingDB Entry DOI: 10.7270/Q2T43VFR
More data for this
Ligand-Target Pair