BDBM50425477 (E)-8-(4-Chlorostyryl)caffeine (4a)::CHEMBL2313284

SMILES Cn1c(\C=C\c2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12

InChI Key InChIKey=RQLGXOPACNRPQG-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 = 50425477   

TargetAmine oxidase [flavin-containing] A(Human)
University of Parma

Curated by ChEMBL
LigandPNGBDBM50425477(CHEMBL2313284 | (E)-8-(4-Chlorostyryl)caffeine (4a...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human MAOA after 1 hr by luminescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
University of Parma

Curated by ChEMBL
LigandPNGBDBM50425477(CHEMBL2313284 | (E)-8-(4-Chlorostyryl)caffeine (4a...)
Affinity DataIC50: 430nMAssay Description:Inhibition of human MAOB after 1 hr by luminescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
University of Parma

Curated by ChEMBL
LigandPNGBDBM50425477(CHEMBL2313284 | (E)-8-(4-Chlorostyryl)caffeine (4a...)
Affinity DataKi:  141nMAssay Description:Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa

LigandPNGBDBM50425477(CHEMBL2313284 | (E)-8-(4-Chlorostyryl)caffeine (4a...)
Affinity DataKi:  169nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2014
Entry Details Article
PubMed