BDBM50042199 7-Butyl-3,7-dihydro-purine-2,6-dione::CHEMBL114891

SMILES: CCCCn1cnc2[nH]c(=O)[nH]c(=O)c12

InChI Key: InChIKey=GKPZQTMJNRWTNK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50042199   

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))	BDBM50042199 (7-Butyl-3,7-dihydro-purine-2,6-dione | CHEMBL11489...) Show SMILES CCCCn1cnc2[nH]c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C9H12N4O2/c1-2-3-4-13-5-10-7-6(13)8(14)12-9(15)11-7/h5H,2-4H2,1H3,(H2,11,12,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmazeutische Chemie Curated by ChEMBL					Assay Description Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [3H]-N6-R-phenylisopropyladenosine (R-PIA) as radioligand				J Med Chem 36: 3341-9 (1993) BindingDB Entry DOI: 10.7270/Q26Q1W9W
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50042199 (7-Butyl-3,7-dihydro-purine-2,6-dione | CHEMBL11489...) Show SMILES CCCCn1cnc2[nH]c(=O)[nH]c(=O)c12 Show InChI InChI=1S/C9H12N4O2/c1-2-3-4-13-5-10-7-6(13)8(14)12-9(15)11-7/h5H,2-4H2,1H3,(H2,11,12,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmazeutische Chemie Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor in rat striatal membranes using [3H]5'-(N-ethylcarboxamido)-adenosine (NECA) as the ligand				J Med Chem 36: 3341-9 (1993) BindingDB Entry DOI: 10.7270/Q26Q1W9W
					More data for this Ligand-Target Pair