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

InChI Key: InChIKey=ZWYGMFUZAACFIF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50037423   

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))	BDBM50037423 ((E)-3-(1,3-Dibutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H...) Show SMILES CCCCn1c2nc(C=CC(O)=O)[nH]c2c(=O)n(CCCC)c1=O |w:9.9| Show InChI InChI=1S/C16H22N4O4/c1-3-5-9-19-14-13(17-11(18-14)7-8-12(21)22)15(23)20(16(19)24)10-6-4-2/h7-8H,3-6,9-10H2,1-2H3,(H,17,18)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.37E+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))	BDBM50037423 ((E)-3-(1,3-Dibutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H...) Show SMILES CCCCn1c2nc(C=CC(O)=O)[nH]c2c(=O)n(CCCC)c1=O |w:9.9| Show InChI InChI=1S/C16H22N4O4/c1-3-5-9-19-14-13(17-11(18-14)7-8-12(21)22)15(23)20(16(19)24)10-6-4-2/h7-8H,3-6,9-10H2,1-2H3,(H,17,18)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.65E+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
Adenosine receptor A3 (Rattus norvegicus)	BDBM50037423 ((E)-3-(1,3-Dibutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H...) Show SMILES CCCCn1c2nc(C=CC(O)=O)[nH]c2c(=O)n(CCCC)c1=O |w:9.9| Show InChI InChI=1S/C16H22N4O4/c1-3-5-9-19-14-13(17-11(18-14)7-8-12(21)22)15(23)20(16(19)24)10-6-4-2/h7-8H,3-6,9-10H2,1-2H3,(H,17,18)(H,21,22)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.37E+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