BDBM50021449 8-(2,4-Dihydroxy-phenyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::8-(2,4-Dihydroxy-phenyl)-1,3-dipropyl-3,9-dihydro-purine-2,6-dione::CHEMBL156863

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1O

InChI Key: InChIKey=SDUXPKISILVLFB-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50021449   

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))	BDBM50021449 (8-(2,4-Dihydroxy-phenyl)-1,3-dipropyl-3,7-dihydro-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1O Show InChI InChI=1S/C17H20N4O4/c1-3-7-20-15-13(16(24)21(8-4-2)17(20)25)18-14(19-15)11-6-5-10(22)9-12(11)23/h5-6,9,22-23H,3-4,7-8H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against A1 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50021449 (8-(2,4-Dihydroxy-phenyl)-1,3-dipropyl-3,7-dihydro-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1O Show InChI InChI=1S/C17H20N4O4/c1-3-7-20-15-13(16(24)21(8-4-2)17(20)25)18-14(19-15)11-6-5-10(22)9-12(11)23/h5-6,9,22-23H,3-4,7-8H2,1-2H3,(H,18,19)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes & Digestive & Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity at human Adenosine A2B receptor expressed in HEK-293 cells, using [125I]-ABOPX as radioligand				J Med Chem 45: 2131-8 (2002) BindingDB Entry DOI: 10.7270/Q2V1243G
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50021449 (8-(2,4-Dihydroxy-phenyl)-1,3-dipropyl-3,7-dihydro-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1O Show InChI InChI=1S/C17H20N4O4/c1-3-7-20-15-13(16(24)21(8-4-2)17(20)25)18-14(19-15)11-6-5-10(22)9-12(11)23/h5-6,9,22-23H,3-4,7-8H2,1-2H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes & Digestive & Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity at rat Adenosine A2A receptor by [3H]-CGS- 21680 displacement.				J Med Chem 45: 2131-8 (2002) BindingDB Entry DOI: 10.7270/Q2V1243G
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50021449 (8-(2,4-Dihydroxy-phenyl)-1,3-dipropyl-3,7-dihydro-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1O Show InChI InChI=1S/C17H20N4O4/c1-3-7-20-15-13(16(24)21(8-4-2)17(20)25)18-14(19-15)11-6-5-10(22)9-12(11)23/h5-6,9,22-23H,3-4,7-8H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes & Digestive & Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity of specific [3H]-R-PIA binding to rat Adenosine A1 receptor in HEK-293 cells				J Med Chem 45: 2131-8 (2002) BindingDB Entry DOI: 10.7270/Q2V1243G
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50021449 (8-(2,4-Dihydroxy-phenyl)-1,3-dipropyl-3,7-dihydro-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1O Show InChI InChI=1S/C17H20N4O4/c1-3-7-20-15-13(16(24)21(8-4-2)17(20)25)18-14(19-15)11-6-5-10(22)9-12(11)23/h5-6,9,22-23H,3-4,7-8H2,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptors of the central nervous system				J Med Chem 29: 1520-4 (1986) BindingDB Entry DOI: 10.7270/Q25Q4V25
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Homo sapiens (Human))	BDBM50021449 (8-(2,4-Dihydroxy-phenyl)-1,3-dipropyl-3,7-dihydro-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1O Show InChI InChI=1S/C17H20N4O4/c1-3-7-20-15-13(16(24)21(8-4-2)17(20)25)18-14(19-15)11-6-5-10(22)9-12(11)23/h5-6,9,22-23H,3-4,7-8H2,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of 5'-(N-ethylcarbamoyl)adenosine-elicited stimulation of adenylate cyclase in human platelet membranes				J Med Chem 31: 613-7 (1988) BindingDB Entry DOI: 10.7270/Q2Q52RVX
					More data for this Ligand-Target Pair