BDBM82017 8-(4-Acetoxyphenyl)theophylline

SMILES CC(=O)Oc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1

InChI Key InChIKey=TYEBBMLQZCIQPP-UHFFFAOYSA-N

Data  3 KI

  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 3 hits for monomerid = 82017   

TargetAdenosine receptor A1(BOVINE)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM82017(8-(4-Acetoxyphenyl)theophylline)
Affinity DataKi:  23nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM82017(8-(4-Acetoxyphenyl)theophylline)
Affinity DataKi:  238nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM82017(8-(4-Acetoxyphenyl)theophylline)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed