BDBM50061950 8-((E)-2-Benzo[1,3]dioxol-5-yl-vinyl)-3,7-dimethyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dione::CHEMBL342229
SMILES: Cn1c(\C=C\c2ccc3OCOc3c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
InChI Key: InChIKey=FTJJULSNSARIRX-SOFGYWHQSA-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 Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50061950 (8-((E)-2-Benzo[1,3]dioxol-5-yl-vinyl)-3,7-dimethyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Julius-Maximilians-Universität Würzburg Curated by ChEMBL | Assay Description Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes. | J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50061950 (8-((E)-2-Benzo[1,3]dioxol-5-yl-vinyl)-3,7-dimethyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Parma Curated by ChEMBL | Assay Description Binding affinity to A2A receptor in rat brain striatal membrane by radioligand displacement assay | J Med Chem 56: 1247-61 (2013) Article DOI: 10.1021/jm301686s BindingDB Entry DOI: 10.7270/Q2SB472H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50061950 (8-((E)-2-Benzo[1,3]dioxol-5-yl-vinyl)-3,7-dimethyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Julius-Maximilians-Universität Würzburg Curated by ChEMBL | Assay Description Ability to inhibit binding of [3H]-CHA to adenosine A1 receptor in rat brain cortical membranes. | J Med Chem 40: 4396-405 (1998) Article DOI: 10.1021/jm970515+ BindingDB Entry DOI: 10.7270/Q20K27P3 | |||||||||||
More data for this Ligand-Target Pair |