BDBM19189 7-(3-Chlorobenzyloxy)-4-carboxaldehyde-coumarin, 3::7-[(3-chlorophenyl)methoxy]-2-oxo-2H-chromene-4-carbaldehyde::C17

SMILES c1cc(cc(c1)Cl)COc2ccc3c(c2)OC(=O)C=C3C=O

InChI Key InChIKey=ZOCADHRNWNJARU-UHFFFAOYSA-N

Data  2 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 19189   

TargetAmine oxidase [flavin-containing] B(Rat)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM19189(C17 | 7-[(3-chlorophenyl)methoxy]-2-oxo-2H-chromen...)
Affinity DataIC50: 52nMAssay Description:Inhibition of Sprague-Dawley rat MAO-B in brain mitochondrial homogenate assessed as 4-hydroxyquinoline by spectrophotometric methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] B(Rat)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM19189(C17 | 7-[(3-chlorophenyl)methoxy]-2-oxo-2H-chromen...)
Affinity DataIC50: 52nMAssay Description:Inhibition of Sprague-Dawley rat MAO-B using Kynuramine as substrate assessed as formation of 4-hydroxyquinoline preincubated for 5 mins prior to sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] B(Human)
University of Pavia

LigandPNGBDBM19189(C17 | 7-[(3-chlorophenyl)methoxy]-2-oxo-2H-chromen...)
Affinity DataKi:  400nM ΔG°:  -8.72kcal/molepH: 7.5 T: 2°CAssay Description:MAO B activities were determined spectrophotometrically at 250 nm using benzylamine as substrate. Competitive Ki values were determined by measuring ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] A(Human)
University of Pavia

LigandPNGBDBM19189(C17 | 7-[(3-chlorophenyl)methoxy]-2-oxo-2H-chromen...)
Affinity DataKi:  1.10E+4nM ΔG°:  -6.76kcal/molepH: 7.5 T: 2°CAssay Description:MAO A activities were determined spectrophotometrically at 316 nm using kynuramine as substrate. Competitive Ki values were determined by measuring i...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2007
Entry Details Article
PubMed