BDBM50020847 8-(2-Amino-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione::8-(2-Aminophenyl)theophylline::CHEMBL11120

SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1N

InChI Key InChIKey=PFYRHBKLMLLPGV-UHFFFAOYSA-N

Data  4 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50020847   

TargetAdenosine receptor A1(BOVINE)
TBA

Curated by ChEMBL
LigandPNGBDBM50020847(8-(2-Amino-phenyl)-1,3-dimethyl-3,7-dihydro-purine...)
Affinity DataIC50:  5.5nMAssay Description:Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosineChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed