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SMILES: CCCCn1c2nc(CCCCC(O)=O)[nH]c2c(=O)n(CCCC)c1=O

InChI Key: InChIKey=QNNXXJAOBPFTME-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50037427   

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))	BDBM50037427 (5-(1,3-Dibutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pur...) Show SMILES CCCCn1c2nc(CCCCC(O)=O)[nH]c2c(=O)n(CCCC)c1=O Show InChI InChI=1S/C18H28N4O4/c1-3-5-11-21-16-15(17(25)22(18(21)26)12-6-4-2)19-13(20-16)9-7-8-10-14(23)24/h3-12H2,1-2H3,(H,19,20)(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.27E+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]-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 receptor A2a (Rattus norvegicus (rat))	BDBM50037427 (5-(1,3-Dibutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-pur...) Show SMILES CCCCn1c2nc(CCCCC(O)=O)[nH]c2c(=O)n(CCCC)c1=O Show InChI InChI=1S/C18H28N4O4/c1-3-5-11-21-16-15(17(25)22(18(21)26)12-6-4-2)19-13(20-16)9-7-8-10-14(23)24/h3-12H2,1-2H3,(H,19,20)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+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 [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