BDBM50025682 CHEMBL66207::Propionic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxymethyl ester

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCOC(=O)CC)cc1

InChI Key: InChIKey=BFBUSULVPOYYGY-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50025682   

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))	BDBM50025682 (CHEMBL66207 | Propionic acid 4-(2,6-dioxo-1,3-dipr...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCOC(=O)CC)cc1 Show InChI InChI=1S/C21H26N4O5/c1-4-11-24-19-17(20(27)25(12-5-2)21(24)28)22-18(23-19)14-7-9-15(10-8-14)29-13-30-16(26)6-3/h7-10H,4-6,11-13H2,1-3H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]- PIA binding at adenosine A1 receptor on rat cerebral cortex membranes.				J Med Chem 30: 211-4 (1987) BindingDB Entry DOI: 10.7270/Q2TT4PZP
					More data for this Ligand-Target Pair