BDBM50306701 8-(3-Methylbenzyloxy)caffeine::CHEMBL589765

SMILES Cc1cccc(COc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1

InChI Key InChIKey=AFSVTGXZVYXITM-UHFFFAOYSA-N

Data  2 KI  2 IC50

  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 = 50306701   

TargetAmine oxidase [flavin-containing] B(Human)
North-West University

Curated by ChEMBL
LigandPNGBDBM50306701(8-(3-Methylbenzyloxy)caffeine | CHEMBL589765)
Affinity DataKi:  140nMAssay Description:Inhibition of human recombinant MAOB assessed as 4-hydroxyquinoline formation by fluorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2010
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
North-West University

Curated by ChEMBL
LigandPNGBDBM50306701(8-(3-Methylbenzyloxy)caffeine | CHEMBL589765)
Affinity DataKi:  180nMAssay Description:Inhibition of human recombinant MAOA assessed as 4-hydroxyquinoline formation by fluorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2010
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
North-West University

Curated by ChEMBL
LigandPNGBDBM50306701(8-(3-Methylbenzyloxy)caffeine | CHEMBL589765)
Affinity DataIC50: 397nMAssay Description:Inhibition of human recombinant MAOB assessed as 4-hydroxyquinoline formation by fluorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2010
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
North-West University

Curated by ChEMBL
LigandPNGBDBM50306701(8-(3-Methylbenzyloxy)caffeine | CHEMBL589765)
Affinity DataIC50: 546nMAssay Description:Inhibition of human recombinant MAOA assessed as 4-hydroxyquinoline formation by fluorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2010
Entry Details Article
PubMed