BDBM110137 (E)-8-(3-Bromostyryl)-1,3,7-trimethylxanthine (4c)

SMILES Cn1c(\C=C\c2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12

InChI Key InChIKey=NIUGYYNSDFVJFJ-BQYQJAHWSA-N

Data  2 KI  1 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 3 hits for monomerid = 110137   

TargetAdenosine receptor A2a(Homo sapiens (Human))
Isf College Of Pharmacy

Curated by ChEMBL
LigandPNGBDBM110137((E)-8-(3-Bromostyryl)-1,3,7-trimethylxanthine (4c))
Affinity DataKi:  28nMAssay Description:Binding affinity to human adenosine A2A receptorMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa

LigandPNGBDBM110137((E)-8-(3-Bromostyryl)-1,3,7-trimethylxanthine (4c))
Affinity DataKi:  28.4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Isf College Of Pharmacy

Curated by ChEMBL
LigandPNGBDBM110137((E)-8-(3-Bromostyryl)-1,3,7-trimethylxanthine (4c))
Affinity DataIC50:  112nMAssay Description:Inhibition of MAO-B (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed