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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

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 69473   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM69473
PNG
(1,3-dimethyl-8-propyl-7H-purine-2,6-dione | 1,3-di...)
Show SMILES CCCc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C10H14N4O2/c1-4-5-6-11-7-8(12-6)13(2)10(16)14(3)9(7)15/h4-5H2,1-3H3,(H,11,12)
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PubMed
367n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM69473
PNG
(1,3-dimethyl-8-propyl-7H-purine-2,6-dione | 1,3-di...)
Show SMILES CCCc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C10H14N4O2/c1-4-5-6-11-7-8(12-6)13(2)10(16)14(3)9(7)15/h4-5H2,1-3H3,(H,11,12)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM69473
PNG
(1,3-dimethyl-8-propyl-7H-purine-2,6-dione | 1,3-di...)
Show SMILES CCCc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C10H14N4O2/c1-4-5-6-11-7-8(12-6)13(2)10(16)14(3)9(7)15/h4-5H2,1-3H3,(H,11,12)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair