BDBM50025683 CHEMBL307313::Propionic acid 4-(1,3-diethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxymethyl ester

SMILES: CCC(=O)OCOc1ccc(cc1)-c1nc2n(CC)c(=O)n(CC)c(=O)c2[nH]1

InChI Key: InChIKey=LCNCOYSHNAVXHS-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 = 50025683   

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))	BDBM50025683 (CHEMBL307313 | Propionic acid 4-(1,3-diethyl-2,6-d...) Show SMILES CCC(=O)OCOc1ccc(cc1)-c1nc2n(CC)c(=O)n(CC)c(=O)c2[nH]1 Show InChI InChI=1S/C19H22N4O5/c1-4-14(24)28-11-27-13-9-7-12(8-10-13)16-20-15-17(21-16)22(5-2)19(26)23(6-3)18(15)25/h7-10H,4-6,11H2,1-3H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	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