BDBM50047174 7-Methyl-1,3-dipropyl-8-[(E)-2-(2,4,5-trimethoxy-phenyl)-vinyl]-3,7-dihydro-purine-2,6-dione::7-Methyl-1,3-dipropyl-8-[2-(2,4,5-trimethoxy-phenyl)-vinyl]-3,7-dihydro-purine-2,6-dione::CHEMBL283847

SMILES: CCCn1c2nc(\C=C\c3cc(OC)c(OC)cc3OC)n(C)c2c(=O)n(CCC)c1=O

InChI Key: InChIKey=PXDSJJXIKQJRHR-MDZDMXLPSA-N

Data: 4 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 4 hits for monomerid = 50047174   

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))	BDBM50047174 (7-Methyl-1,3-dipropyl-8-[(E)-2-(2,4,5-trimethoxy-p...) Show SMILES CCCn1c2nc(\C=C\c3cc(OC)c(OC)cc3OC)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C23H30N4O5/c1-7-11-26-21-20(22(28)27(12-8-2)23(26)29)25(3)19(24-21)10-9-15-13-17(31-5)18(32-6)14-16(15)30-4/h9-10,13-14H,7-8,11-12H2,1-6H3/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	170	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))	BDBM50047174 (7-Methyl-1,3-dipropyl-8-[(E)-2-(2,4,5-trimethoxy-p...) Show SMILES CCCn1c2nc(\C=C\c3cc(OC)c(OC)cc3OC)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C23H30N4O5/c1-7-11-26-21-20(22(28)27(12-8-2)23(26)29)25(3)19(24-21)10-9-15-13-17(31-5)18(32-6)14-16(15)30-4/h9-10,13-14H,7-8,11-12H2,1-6H3/b10-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	327	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))	BDBM50047174 (7-Methyl-1,3-dipropyl-8-[(E)-2-(2,4,5-trimethoxy-p...) Show SMILES CCCn1c2nc(\C=C\c3cc(OC)c(OC)cc3OC)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C23H30N4O5/c1-7-11-26-21-20(22(28)27(12-8-2)23(26)29)25(3)19(24-21)10-9-15-13-17(31-5)18(32-6)14-16(15)30-4/h9-10,13-14H,7-8,11-12H2,1-6H3/b10-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	689	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 A1 receptor (GUINEA PIG)	BDBM50047174 (7-Methyl-1,3-dipropyl-8-[(E)-2-(2,4,5-trimethoxy-p...) Show SMILES CCCn1c2nc(\C=C\c3cc(OC)c(OC)cc3OC)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C23H30N4O5/c1-7-11-26-21-20(22(28)27(12-8-2)23(26)29)25(3)19(24-21)10-9-15-13-17(31-5)18(32-6)14-16(15)30-4/h9-10,13-14H,7-8,11-12H2,1-6H3/b10-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-CHA from Adenosine A1 receptor of guinea pig forebrain membranes				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