BDBM50045337 8-Bromo-3-isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione::CHEMBL314959

SMILES: CC(C)Cn1c2nc(Br)[nH]c2c(=O)n(C)c1=O

InChI Key: InChIKey=JCAIYNMCEMWPAD-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 = 50045337   

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))	BDBM50045337 (8-Bromo-3-isobutyl-1-methyl-3,7-dihydro-purine-2,6...) Show SMILES CC(C)Cn1c2nc(Br)[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C10H13BrN4O2/c1-5(2)4-15-7-6(12-9(11)13-7)8(16)14(3)10(15)17/h5H,4H2,1-3H3,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]-PIA as radioligand				J Med Chem 36: 2639-44 (1993) BindingDB Entry DOI: 10.7270/Q2S75FDT
					More data for this Ligand-Target Pair