BDBM50110989 1-Butyl-8-{4-[2-oxo-2-(4-phenyl-piperazin-1-yl)-ethoxy]-phenyl}-3,7-dihydro-purine-2,6-dione::CHEMBL34543

SMILES: CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2)cc1

InChI Key: InChIKey=QTBMOCRVBFJFDG-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50110989   

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))	BDBM50110989 (1-Butyl-8-{4-[2-oxo-2-(4-phenyl-piperazin-1-yl)-et...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C27H30N6O4/c1-2-3-13-33-26(35)23-25(30-27(33)36)29-24(28-23)19-9-11-21(12-10-19)37-18-22(34)32-16-14-31(15-17-32)20-7-5-4-6-8-20/h4-12H,2-3,13-18H2,1H3,(H,28,29)(H,30,36)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14.7	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))	BDBM50110989 (1-Butyl-8-{4-[2-oxo-2-(4-phenyl-piperazin-1-yl)-et...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C27H30N6O4/c1-2-3-13-33-26(35)23-25(30-27(33)36)29-24(28-23)19-9-11-21(12-10-19)37-18-22(34)32-16-14-31(15-17-32)20-7-5-4-6-8-20/h4-12H,2-3,13-18H2,1H3,(H,28,29)(H,30,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	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