BDBM50110983 8-{4-[2-(4-Acetyl-piperazin-1-yl)-2-oxo-ethoxy]-phenyl}-1-butyl-3,7-dihydro-purine-2,6-dione::CHEMBL37050
SMILES: CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)C(C)=O)cc1
InChI Key: InChIKey=YGOGDSPLTDDFNE-UHFFFAOYSA-N
Data: 3 KI
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)) | BDBM50110983 (8-{4-[2-(4-Acetyl-piperazin-1-yl)-2-oxo-ethoxy]-ph...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 6.5 | 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)) | BDBM50110983 (8-{4-[2-(4-Acetyl-piperazin-1-yl)-2-oxo-ethoxy]-ph...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 30 | 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 Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50110983 (8-{4-[2-(4-Acetyl-piperazin-1-yl)-2-oxo-ethoxy]-ph...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 450 | 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]-MSX-2 binding to rat adenosine A2A receptor | J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN | |||||||||||
More data for this Ligand-Target Pair |