BDBM50042210 1,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione::1,7-dimethylxanthine::CHEMBL1158::paraxanthine

SMILES Cn1cnc2[nH]c(=O)n(C)c(=O)c12

InChI Key InChIKey=QUNWUDVFRNGTCO-UHFFFAOYSA-N

Data  5 KI

  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 5 hits for monomerid = 50042210   

TargetAdenosine receptor A1(Rat)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50042210(1,7-dimethylxanthine | paraxanthine | CHEMBL1158 |...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2011
Entry Details Article
PubMed
TargetAdenosine receptor A1(Bovine)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50042210(1,7-dimethylxanthine | paraxanthine | CHEMBL1158 |...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2011
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50042210(1,7-dimethylxanthine | paraxanthine | CHEMBL1158 |...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2011
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50042210(1,7-dimethylxanthine | paraxanthine | CHEMBL1158 |...)
Affinity DataKi:  2.10E+4nMAssay Description:Binding affinity at A1 adenosine receptor in rat brain cortical membrane using [3H]- N6-R-phenylisopropyladenosine (R-PIA)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A2a/A2b(Rat)
Pharmazeutische Chemie

Curated by ChEMBL
LigandPNGBDBM50042210(1,7-dimethylxanthine | paraxanthine | CHEMBL1158 |...)
Affinity DataKi:  3.20E+4nMAssay Description:Binding affinity against Adenosine A2 receptor in rat striatal membranes using [3H]5'-(N-ethylcarboxamido)-adenosine (NECA) as the ligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed