BDBM50047205 8-[2-(3,5-Dimethoxy-phenyl)-vinyl]-1,3-dimethyl-3,7-dihydro-purine-2,6-dione::CHEMBL25799

SMILES: COc1cc(OC)cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c1

InChI Key: InChIKey=OEYGYYXUEWJGCM-UHFFFAOYSA-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 = 50047205   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50047205 (8-[2-(3,5-Dimethoxy-phenyl)-vinyl]-1,3-dimethyl-3,...) Show SMILES COc1cc(OC)cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c1 |w:9.8| Show InChI InChI=1S/C17H18N4O4/c1-20-15-14(16(22)21(2)17(20)23)18-13(19-15)6-5-10-7-11(24-3)9-12(8-10)25-4/h5-9H,1-4H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2BV7FPB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50047205 (8-[2-(3,5-Dimethoxy-phenyl)-vinyl]-1,3-dimethyl-3,...) Show SMILES COc1cc(OC)cc(C=Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c1 |w:9.8| Show InChI InChI=1S/C17H18N4O4/c1-20-15-14(16(22)21(2)17(20)23)18-13(19-15)6-5-10-7-11(24-3)9-12(8-10)25-4/h5-9H,1-4H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2BV7FPB
					More data for this Ligand-Target Pair