BDBM50047197 8-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::8-[2-(3,5-Dimethoxy-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL27215

SMILES: CCCn1c2nc(\C=C\c3cc(OC)cc(OC)c3)n(C)c2c(=O)n(CCC)c1=O

InChI Key: InChIKey=IOYPKGGECGGACP-CMDGGOBGSA-N

Data: 3 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 3 hits for monomerid = 50047197   

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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50047197 (8-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...) Show SMILES CCCn1c2nc(\C=C\c3cc(OC)cc(OC)c3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C22H28N4O4/c1-6-10-25-20-19(21(27)26(11-7-2)22(25)28)24(3)18(23-20)9-8-15-12-16(29-4)14-17(13-15)30-5/h8-9,12-14H,6-7,10-11H2,1-5H3/b9-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against Adenosine A2a receptor in rat forebrain membranes by [3H]-NECA (+CPA) displacement.				Bioorg Med Chem Lett 7: 2349-2352 (1997) Article DOI: 10.1016/S0960-894X(97)00440-X BindingDB Entry DOI: 10.7270/Q2PV6KB7
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50047197 (8-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...) Show SMILES CCCn1c2nc(\C=C\c3cc(OC)cc(OC)c3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C22H28N4O4/c1-6-10-25-20-19(21(27)26(11-7-2)22(25)28)24(3)18(23-20)9-8-15-12-16(29-4)14-17(13-15)30-5/h8-9,12-14H,6-7,10-11H2,1-5H3/b9-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	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))	BDBM50047197 (8-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-7-methyl-1,...) Show SMILES CCCn1c2nc(\C=C\c3cc(OC)cc(OC)c3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C22H28N4O4/c1-6-10-25-20-19(21(27)26(11-7-2)22(25)28)24(3)18(23-20)9-8-15-12-16(29-4)14-17(13-15)30-5/h8-9,12-14H,6-7,10-11H2,1-5H3/b9-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.63E+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