BDBM110158 8-Phenoxymethyl-1,3-diethyl-7-methylxanthine (8c)

SMILES: CCn1c2nc(COc3ccccc3)n(C)c2c(=O)n(CC)c1=O

InChI Key: InChIKey=FGXCBFLLACDHJB-UHFFFAOYSA-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 = 110158   

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))	BDBM110158 (8-Phenoxymethyl-1,3-diethyl-7-methylxanthine (8c)) Show SMILES CCn1c2nc(COc3ccccc3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C17H20N4O3/c1-4-20-15-14(16(22)21(5-2)17(20)23)19(3)13(18-15)11-24-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	874	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes				Bioorg Med Chem 23: 6641-9 (2015) BindingDB Entry DOI: 10.7270/Q2571DTP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM110158 (8-Phenoxymethyl-1,3-diethyl-7-methylxanthine (8c)) Show SMILES CCn1c2nc(COc3ccccc3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C17H20N4O3/c1-4-20-15-14(16(22)21(5-2)17(20)23)19(3)13(18-15)11-24-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	892	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine receptor A1 in Sprague-Dawley rat whole brain membranes after 60 mins in presence of GTP by liquid scintilla...				Bioorg Med Chem Lett 26: 5951-5955 (2016) Article DOI: 10.1016/j.bmcl.2016.10.086 BindingDB Entry DOI: 10.7270/Q2TB18WV
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM110158 (8-Phenoxymethyl-1,3-diethyl-7-methylxanthine (8c)) Show SMILES CCn1c2nc(COc3ccccc3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C17H20N4O3/c1-4-20-15-14(16(22)21(5-2)17(20)23)19(3)13(18-15)11-24-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM110158 (8-Phenoxymethyl-1,3-diethyl-7-methylxanthine (8c)) Show SMILES CCn1c2nc(COc3ccccc3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C17H20N4O3/c1-4-20-15-14(16(22)21(5-2)17(20)23)19(3)13(18-15)11-24-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from Adenosine A2A receptor in Sprague-Dawley rat striatal membranes				Bioorg Med Chem 23: 6641-9 (2015) BindingDB Entry DOI: 10.7270/Q2571DTP
					More data for this Ligand-Target Pair