BDBM50047162 8-[2-(3,5-Dimethoxy-phenyl)-vinyl]-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL447777

SMILES: CCCn1c2nc(C=Cc3cc(OC)cc(OC)c3)[nH]c2c(=O)n(CCC)c1=O

InChI Key: InChIKey=IFYQMQURNXKFLL-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 = 50047162   

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))	BDBM50047162 (8-[2-(3,5-Dimethoxy-phenyl)-vinyl]-1,3-dipropyl-3,...) Show SMILES CCCn1c2nc(C=Cc3cc(OC)cc(OC)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8| Show InChI InChI=1S/C21H26N4O4/c1-5-9-24-19-18(20(26)25(10-6-2)21(24)27)22-17(23-19)8-7-14-11-15(28-3)13-16(12-14)29-4/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	210	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))	BDBM50047162 (8-[2-(3,5-Dimethoxy-phenyl)-vinyl]-1,3-dipropyl-3,...) Show SMILES CCCn1c2nc(C=Cc3cc(OC)cc(OC)c3)[nH]c2c(=O)n(CCC)c1=O |w:8.8| Show InChI InChI=1S/C21H26N4O4/c1-5-9-24-19-18(20(26)25(10-6-2)21(24)27)22-17(23-19)8-7-14-11-15(28-3)13-16(12-14)29-4/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	632	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