BDBM69473 1,3-dimethyl-8-propyl-7H-purine-2,6-dione::1,3-dimethyl-8-propyl-7H-purine-2,6-quinone::8-Propyltheophylline::MLS000737462::SMR000528150::cid_76104

SMILES CCCc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1

InChI Key InChIKey=LMQXNURVVYWBSR-UHFFFAOYSA-N

Data  2 KI  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 69473   

TargetAdenosine receptor A1(Rattus norvegicus (rat))
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM69473(1,3-dimethyl-8-propyl-7H-purine-2,6-dione | 1,3-di...)
Affinity DataKi:  367nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database
LigandPNGBDBM69473(1,3-dimethyl-8-propyl-7H-purine-2,6-dione | 1,3-di...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM69473(1,3-dimethyl-8-propyl-7H-purine-2,6-dione | 1,3-di...)
Affinity DataEC50: >3.00E+5nMAssay Description:Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay