BDBM50025568 1-Allyl-3,7-dimethyl-3,7-dihydro-purine-2,6-dione::CHEMBL25427

SMILES: Cn1cnc2n(C)c(=O)n(CC=C)c(=O)c12

InChI Key: InChIKey=BTFHIKZOEZREBX-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 = 50025568   

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 A2a receptor (GUINEA PIG)	BDBM50025568 (1-Allyl-3,7-dimethyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES Cn1cnc2n(C)c(=O)n(CC=C)c(=O)c12 Show InChI InChI=1S/C10H12N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h4,6H,1,5H2,2-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its ability to antagonise cyclic [3H]-AMP accumulation in [3H]-adenine-labeled guinea pig cerebral cortical slices.				J Med Chem 29: 1305-8 (1987) BindingDB Entry DOI: 10.7270/Q23777QX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50025568 (1-Allyl-3,7-dimethyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES Cn1cnc2n(C)c(=O)n(CC=C)c(=O)c12 Show InChI InChI=1S/C10H12N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h4,6H,1,5H2,2-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit binding of 1 nM [3H]-cyclohexyladenosine to adenosine A1 receptor in rat cerebral cortical membranes				J Med Chem 29: 1305-8 (1987) BindingDB Entry DOI: 10.7270/Q23777QX
					More data for this Ligand-Target Pair