BDBM50037431 3-Benzyl-1-butyl-3,7-dihydro-purine-2,6-dione::CHEMBL320786

SMILES: CCCCn1c(=O)n(Cc2ccccc2)c2nc[nH]c2c1=O

InChI Key: InChIKey=MKXAPFXXDKBXAK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50037431   

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))	BDBM50037431 (3-Benzyl-1-butyl-3,7-dihydro-purine-2,6-dione | CH...) Show SMILES CCCCn1c(=O)n(Cc2ccccc2)c2nc[nH]c2c1=O Show InChI InChI=1S/C16H18N4O2/c1-2-3-9-19-15(21)13-14(18-11-17-13)20(16(19)22)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	668	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H]-PIA from adenosine A1 receptors of rat brain membrane				J Med Chem 37: 3373-82 (1994) BindingDB Entry DOI: 10.7270/Q28914WW
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50037431 (3-Benzyl-1-butyl-3,7-dihydro-purine-2,6-dione | CH...) Show SMILES CCCCn1c(=O)n(Cc2ccccc2)c2nc[nH]c2c1=O Show InChI InChI=1S/C16H18N4O2/c1-2-3-9-19-15(21)13-14(18-11-17-13)20(16(19)22)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from adenosine A2a receptors of rat striatal membrane				J Med Chem 37: 3373-82 (1994) BindingDB Entry DOI: 10.7270/Q28914WW
					More data for this Ligand-Target Pair
Adenosine receptor A2a and A3 (Rattus norvegicus)	BDBM50037431 (3-Benzyl-1-butyl-3,7-dihydro-purine-2,6-dione | CH...) Show SMILES CCCCn1c(=O)n(Cc2ccccc2)c2nc[nH]c2c1=O Show InChI InChI=1S/C16H18N4O2/c1-2-3-9-19-15(21)13-14(18-11-17-13)20(16(19)22)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H,17,18)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.42E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA from membranes of CHO cells stably transfected with the rat adenosine A3 receptor cDNA				J Med Chem 37: 3373-82 (1994) BindingDB Entry DOI: 10.7270/Q28914WW
					More data for this Ligand-Target Pair