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BDBM50047167 8-[2-(2-Methoxy-phenyl)-vinyl]-1,3-dimethyl-3,7-dihydro-purine-2,6-dione::CHEMBL28046

SMILES: COc1ccccc1C=Cc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1

InChI Key: InChIKey=CMMKZOTUODHMLR-CMDGGOBGSA-N

Data: 2 KI

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50047167   
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 A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50047167
PNG
(8-[2-(2-Methoxy-phenyl)-vinyl]-1,3-dimethyl-3,7-di...)
Show SMILES COc1ccccc1C=Cc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C16H16N4O3/c1-19-14-13(15(21)20(2)16(19)22)17-12(18-14)9-8-10-6-4-5-7-11(10)23-3/h4-9H,1-3H3,(H,17,18)/b9-8+
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
645n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand


J Med Chem 36: 1333-42 (1993)


Article DOI: 10.1021/jm00062a005
BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50047167
PNG
(8-[2-(2-Methoxy-phenyl)-vinyl]-1,3-dimethyl-3,7-di...)
Show SMILES COc1ccccc1C=Cc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C16H16N4O3/c1-19-14-13(15(21)20(2)16(19)22)17-12(18-14)9-8-10-6-4-5-7-11(10)23-3/h4-9H,1-3H3,(H,17,18)/b9-8+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.73E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand


J Med Chem 36: 1333-42 (1993)


Article DOI: 10.1021/jm00062a005
BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair