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BDBM50047182 8-[2-(3-Methoxy-phenyl)-vinyl]-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione::CHEMBL281657

SMILES: COc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1

InChI Key: InChIKey=MPNIDJAZNSFKDZ-CMDGGOBGSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50047182   
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))
BDBM50047182
PNG
(8-[2-(3-Methoxy-phenyl)-vinyl]-1,3,7-trimethyl-3,7...)
Show SMILES COc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C17H18N4O3/c1-19-13(9-8-11-6-5-7-12(10-11)24-4)18-15-14(19)16(22)21(3)17(23)20(15)2/h5-10H,1-4H3/b9-8+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
85n/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))
BDBM50047182
PNG
(8-[2-(3-Methoxy-phenyl)-vinyl]-1,3,7-trimethyl-3,7...)
Show SMILES COc1cccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C17H18N4O3/c1-19-13(9-8-11-6-5-7-12(10-11)24-4)18-15-14(19)16(22)21(3)17(23)20(15)2/h5-10H,1-4H3/b9-8+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.43E+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