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SMILES: CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(Br)cc1

InChI Key: InChIKey=RXFILCYMWCQBBJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50110971   

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 A2b (Homo sapiens (Human))	BDBM50110971 (8-(4-Bromo-phenyl)-1-butyl-3,7-dihydro-purine-2,6-...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C15H15BrN4O2/c1-2-3-8-20-14(21)11-13(19-15(20)22)18-12(17-11)9-4-6-10(16)7-5-9/h4-7H,2-3,8H2,1H3,(H,17,18)(H,19,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50110971 (8-(4-Bromo-phenyl)-1-butyl-3,7-dihydro-purine-2,6-...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C15H15BrN4O2/c1-2-3-8-20-14(21)11-13(19-15(20)22)18-12(17-11)9-4-6-10(16)7-5-9/h4-7H,2-3,8H2,1H3,(H,17,18)(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50110971 (8-(4-Bromo-phenyl)-1-butyl-3,7-dihydro-purine-2,6-...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C15H15BrN4O2/c1-2-3-8-20-14(21)11-13(19-15(20)22)18-12(17-11)9-4-6-10(16)7-5-9/h4-7H,2-3,8H2,1H3,(H,17,18)(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Binding affinity towards rat Adenosine A2A receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair