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BDBM50341663 (E)-3-(3,4-Dihydroxybenzylidene)chroman-4-one::CHEMBL1766558

SMILES: Oc1ccc(\C=C2/COc3ccccc3C2=O)cc1O

InChI Key: InChIKey=FEXFMUQVKJRJMT-YRNVUSSQSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50341663   
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] B


(Homo sapiens (Human))
BDBM50341663
PNG
((E)-3-(3,4-Dihydroxybenzylidene)chroman-4-one | CH...)
Show SMILES Oc1ccc(\C=C2/COc3ccccc3C2=O)cc1O
Show InChI InChI=1S/C16H12O4/c17-13-6-5-10(8-14(13)18)7-11-9-20-15-4-2-1-3-12(15)16(11)19/h1-8,17-18H,9H2/b11-7+
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 141n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...


J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50341663
PNG
((E)-3-(3,4-Dihydroxybenzylidene)chroman-4-one | CH...)
Show SMILES Oc1ccc(\C=C2/COc3ccccc3C2=O)cc1O
Show InChI InChI=1S/C16H12O4/c17-13-6-5-10(8-14(13)18)7-11-9-20-15-4-2-1-3-12(15)16(11)19/h1-8,17-18H,9H2/b11-7+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.41E+5n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)


Bioorg Med Chem 21: 7890-7 (2013)


Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50341663
PNG
((E)-3-(3,4-Dihydroxybenzylidene)chroman-4-one | CH...)
Show SMILES Oc1ccc(\C=C2/COc3ccccc3C2=O)cc1O
Show InChI InChI=1S/C16H12O4/c17-13-6-5-10(8-14(13)18)7-11-9-20-15-4-2-1-3-12(15)16(11)19/h1-8,17-18H,9H2/b11-7+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.74E+3n/an/an/an/an/an/a



Universita` La Sapienza di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorim...


J Med Chem 54: 2155-64 (2011)


Article DOI: 10.1021/jm1013709
BindingDB Entry DOI: 10.7270/Q2902435
More data for this
Ligand-Target Pair