BDBM50001501 7-Butyl-1-methyl-3-propyl-3,7-dihydro-purine-2,6-dione::CHEMBL131275

SMILES: CCCCn1cnc2n(CCC)c(=O)n(C)c(=O)c12

InChI Key: InChIKey=LNKWJWFCKHPEGK-UHFFFAOYSA-N

Data: 3 KI  1 EC50

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 4 hits for monomerid = 50001501   

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 A1 receptor (GUINEA PIG)	BDBM50001501 (7-Butyl-1-methyl-3-propyl-3,7-dihydro-purine-2,6-d...) Show SMILES CCCCn1cnc2n(CCC)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C13H20N4O2/c1-4-6-8-16-9-14-11-10(16)12(18)15(3)13(19)17(11)7-5-2/h9H,4-8H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX.				J Med Chem 35: 4039-44 (1992) BindingDB Entry DOI: 10.7270/Q2CF9P23
					More data for this Ligand-Target Pair
Adenosine A2a receptor (GUINEA PIG)	BDBM50001501 (7-Butyl-1-methyl-3-propyl-3,7-dihydro-purine-2,6-d...) Show SMILES CCCCn1cnc2n(CCC)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C13H20N4O2/c1-4-6-8-16-9-14-11-10(16)12(18)15(3)13(19)17(11)7-5-2/h9H,4-8H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Affinity against adenosine A2 receptor in the brain membranes measured by the displacement of [3H]-CPX				J Med Chem 35: 4039-44 (1992) BindingDB Entry DOI: 10.7270/Q2CF9P23
					More data for this Ligand-Target Pair
Phosphodiesterase 4 (Homo sapiens (Human))	BDBM50001501 (7-Butyl-1-methyl-3-propyl-3,7-dihydro-purine-2,6-d...) Show SMILES CCCCn1cnc2n(CCC)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C13H20N4O2/c1-4-6-8-16-9-14-11-10(16)12(18)15(3)13(19)17(11)7-5-2/h9H,4-8H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Inhibition of c-AMP phosphodiesterase activity in guinea pig tracheal muscle				J Med Chem 35: 4039-44 (1992) BindingDB Entry DOI: 10.7270/Q2CF9P23
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50001501 (7-Butyl-1-methyl-3-propyl-3,7-dihydro-purine-2,6-d...) Show SMILES CCCCn1cnc2n(CCC)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C13H20N4O2/c1-4-6-8-16-9-14-11-10(16)12(18)15(3)13(19)17(11)7-5-2/h9H,4-8H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.				J Med Chem 35: 4039-44 (1992) BindingDB Entry DOI: 10.7270/Q2CF9P23
					More data for this Ligand-Target Pair