BDBM50047163 8-{2-[4-(4-Amino-butoxy)-3,5-dimethoxy-phenyl]-vinyl}-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione::CHEMBL28233
SMILES: COc1cc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc(OC)c1OCCCCN
InChI Key: InChIKey=OESFQGSFJMNTAM-CMDGGOBGSA-N
Data: 2 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 A2 receptor (Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50047163 (8-{2-[4-(4-Amino-butoxy)-3,5-dimethoxy-phenyl]-vin...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 173 | 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 Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as radioligand | J Med Chem 36: 1333-42 (1993) BindingDB Entry DOI: 10.7270/Q2BV7FPB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50047163 (8-{2-[4-(4-Amino-butoxy)-3,5-dimethoxy-phenyl]-vin...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 6.17E+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 Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand | J Med Chem 36: 1333-42 (1993) BindingDB Entry DOI: 10.7270/Q2BV7FPB | |||||||||||
More data for this Ligand-Target Pair |