BDBM50001489 3-Methyl-1-propyl-3,7-dihydro-purine-2,6-dione::CHEMBL112369

SMILES: CCCn1c(=O)n(C)c2nc[nH]c2c1=O

InChI Key: InChIKey=UEGOAAXVUJWIHJ-UHFFFAOYSA-N

Data: 4 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 5 hits for monomerid = 50001489   

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)	BDBM50001489 (3-Methyl-1-propyl-3,7-dihydro-purine-2,6-dione | C...) Show SMILES CCCn1c(=O)n(C)c2nc[nH]c2c1=O Show InChI InChI=1S/C9H12N4O2/c1-3-4-13-8(14)6-7(11-5-10-6)12(2)9(13)15/h5H,3-4H2,1-2H3,(H,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.40E+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 receptor A1 (Rattus norvegicus (rat))	BDBM50001489 (3-Methyl-1-propyl-3,7-dihydro-purine-2,6-dione | C...) Show SMILES CCCn1c(=O)n(C)c2nc[nH]c2c1=O Show InChI InChI=1S/C9H12N4O2/c1-3-4-13-8(14)6-7(11-5-10-6)12(2)9(13)15/h5H,3-4H2,1-2H3,(H,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.70E+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
Phosphodiesterase 4 (Homo sapiens (Human))	BDBM50001489 (3-Methyl-1-propyl-3,7-dihydro-purine-2,6-dione | C...) Show SMILES CCCn1c(=O)n(C)c2nc[nH]c2c1=O Show InChI InChI=1S/C9H12N4O2/c1-3-4-13-8(14)6-7(11-5-10-6)12(2)9(13)15/h5H,3-4H2,1-2H3,(H,10,11)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.60E+4	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 A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50001489 (3-Methyl-1-propyl-3,7-dihydro-purine-2,6-dione | C...) Show SMILES CCCn1c(=O)n(C)c2nc[nH]c2c1=O Show InChI InChI=1S/C9H12N4O2/c1-3-4-13-8(14)6-7(11-5-10-6)12(2)9(13)15/h5H,3-4H2,1-2H3,(H,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.70E+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 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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50001489 (3-Methyl-1-propyl-3,7-dihydro-purine-2,6-dione | C...) Show SMILES CCCn1c(=O)n(C)c2nc[nH]c2c1=O Show InChI InChI=1S/C9H12N4O2/c1-3-4-13-8(14)6-7(11-5-10-6)12(2)9(13)15/h5H,3-4H2,1-2H3,(H,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	9.60E+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