BDBM50022731 1,3-Diisobutyl-3,7-dihydro-purine-2,6-dione::CHEMBL26350

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

InChI Key: InChIKey=IPUAJXHKDUKOCH-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50022731   

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))	BDBM50022731 (1,3-Diisobutyl-3,7-dihydro-purine-2,6-dione | CHEM...) Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(CC(C)C)c1=O Show InChI InChI=1S/C13H20N4O2/c1-8(2)5-16-11-10(14-7-15-11)12(18)17(13(16)19)6-9(3)4/h7-9H,5-6H2,1-4H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding of 1 nM [3H]-CHA to Adenosine A1 receptor of rat cerebral cortical membranes				J Med Chem 31: 2034-9 (1988) BindingDB Entry DOI: 10.7270/Q2988614
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50022731 (1,3-Diisobutyl-3,7-dihydro-purine-2,6-dione | CHEM...) Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(CC(C)C)c1=O Show InChI InChI=1S/C13H20N4O2/c1-8(2)5-16-11-10(14-7-15-11)12(18)17(13(16)19)6-9(3)4/h7-9H,5-6H2,1-4H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	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
Adenosine A2a receptor (GUINEA PIG)	BDBM50022731 (1,3-Diisobutyl-3,7-dihydro-purine-2,6-dione | CHEM...) Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(CC(C)C)c1=O Show InChI InChI=1S/C13H20N4O2/c1-8(2)5-16-11-10(14-7-15-11)12(18)17(13(16)19)6-9(3)4/h7-9H,5-6H2,1-4H3,(H,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+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 A2 receptor (Homo sapiens (Human))	BDBM50022731 (1,3-Diisobutyl-3,7-dihydro-purine-2,6-dione | CHEM...) Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(CC(C)C)c1=O Show InChI InChI=1S/C13H20N4O2/c1-8(2)5-16-11-10(14-7-15-11)12(18)17(13(16)19)6-9(3)4/h7-9H,5-6H2,1-4H3,(H,14,15)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibition of 2-CADO-stimulated adenylate cyclase at Adenosine A2 receptor in guinea pig cerebral cortical slices				J Med Chem 31: 2034-9 (1988) BindingDB Entry DOI: 10.7270/Q2988614
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50022731 (1,3-Diisobutyl-3,7-dihydro-purine-2,6-dione | CHEM...) Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(CC(C)C)c1=O Show InChI InChI=1S/C13H20N4O2/c1-8(2)5-16-11-10(14-7-15-11)12(18)17(13(16)19)6-9(3)4/h7-9H,5-6H2,1-4H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+3	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))	BDBM50022731 (1,3-Diisobutyl-3,7-dihydro-purine-2,6-dione | CHEM...) Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(CC(C)C)c1=O Show InChI InChI=1S/C13H20N4O2/c1-8(2)5-16-11-10(14-7-15-11)12(18)17(13(16)19)6-9(3)4/h7-9H,5-6H2,1-4H3,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+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