BDBM50453544 CHEMBL2113638
SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(c3)[N+]([O-])=O)ncnc12
InChI Key: InChIKey=KKNXBOADXIOZNK-QCUYGVNKSA-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 receptor A2a and A3 (Rattus norvegicus) | BDBM50453544 (CHEMBL2113638) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 8.70 | 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 for recombinant rat A3-adenosine receptor by the displacement of specific [125I]APNEA or [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-... | J Med Chem 37: 636-46 (1994) BindingDB Entry DOI: 10.7270/Q2057GJZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50453544 (CHEMBL2113638) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 78 | 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 for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined | J Med Chem 37: 636-46 (1994) BindingDB Entry DOI: 10.7270/Q2057GJZ | |||||||||||
More data for this Ligand-Target Pair |