BDBM50023395 (4-{3-[2-(4-Azido-3-iodo-phenyl)-ethyl]-2,6-dioxo-1-propyl-2,3,6,9-tetrahydro-1H-purin-8-yl}-phenoxy)-acetic acid::CHEMBL164623
SMILES: CCCn1c(=O)n(CCc2ccc(N=[N+]=[N-])c(I)c2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1
InChI Key: InChIKey=KVYDVJREYLSFDF-UHFFFAOYSA-N
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 (Homo sapiens (Human)) | BDBM50023395 ((4-{3-[2-(4-Azido-3-iodo-phenyl)-ethyl]-2,6-dioxo-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia School of Medicine Curated by ChEMBL | Assay Description Inhibition of NECA binding to adenosine A2 receptor mediates reduced adenylate cyclase activity in human platelets | J Med Chem 31: 745-51 (1988) BindingDB Entry DOI: 10.7270/Q2D21Z57 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine A1 receptor (BOVINE) | BDBM50023395 ((4-{3-[2-(4-Azido-3-iodo-phenyl)-ethyl]-2,6-dioxo-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a |
University of Virginia School of Medicine Curated by ChEMBL | Assay Description Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranes | J Med Chem 31: 745-51 (1988) BindingDB Entry DOI: 10.7270/Q2D21Z57 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50023395 ((4-{3-[2-(4-Azido-3-iodo-phenyl)-ethyl]-2,6-dioxo-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a |
University of Virginia School of Medicine Curated by ChEMBL | Assay Description Binding affinity towards adenosine A1 receptor in rat brain membrane(KD) | J Med Chem 31: 752-6 (1988) BindingDB Entry DOI: 10.7270/Q28916FW | |||||||||||
More data for this Ligand-Target Pair |