BDBM50014260 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione::3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione::3,7-dimethylpurine-2,6-dione::3,7-dimethylxanthine::CHEMBL1114::Theobromin::theobromine

SMILES Cn1cnc2n(C)c(=O)[nH]c(=O)c12

InChI Key InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N

Data  13 KI  5 IC50

PDB links: 4 PDB IDs match this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50014260   

TargetAdenosine receptor A1(Rattus norvegicus (rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50014260(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50014260(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAdenosine receptor A1(BOVINE)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50014260(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed