BDBM50047204 1,3-Dipropyl-8-[2-(2,4,5-trimethoxy-phenyl)-vinyl]-3,7-dihydro-purine-2,6-dione::CHEMBL26837

SMILES: CCCn1c2nc(C=Cc3cc(OC)c(OC)cc3OC)[nH]c2c(=O)n(CCC)c1=O

InChI Key: InChIKey=JJYXOANLHLYJOF-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 = 50047204   

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 receptor A1 (Rattus norvegicus (rat))	BDBM50047204 (1,3-Dipropyl-8-[2-(2,4,5-trimethoxy-phenyl)-vinyl]...) Show SMILES CCCn1c2nc(C=Cc3cc(OC)c(OC)cc3OC)[nH]c2c(=O)n(CCC)c1=O |w:8.8| Show InChI InChI=1S/C22H28N4O5/c1-6-10-25-20-19(21(27)26(11-7-2)22(25)28)23-18(24-20)9-8-14-12-16(30-4)17(31-5)13-15(14)29-3/h8-9,12-13H,6-7,10-11H2,1-5H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	143	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
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50047204 (1,3-Dipropyl-8-[2-(2,4,5-trimethoxy-phenyl)-vinyl]...) Show SMILES CCCn1c2nc(C=Cc3cc(OC)c(OC)cc3OC)[nH]c2c(=O)n(CCC)c1=O |w:8.8| Show InChI InChI=1S/C22H28N4O5/c1-6-10-25-20-19(21(27)26(11-7-2)22(25)28)23-18(24-20)9-8-14-12-16(30-4)17(31-5)13-15(14)29-3/h8-9,12-13H,6-7,10-11H2,1-5H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	323	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