BDBM25399 Bivalent derivative, 18::N-[5-(1-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}-12-hydroxy-4,7-dioxa-1,10-diazadodecan-12-yl)-2-hydroxyphenyl]formamide
SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCOCCOCCNCC(O)c3ccc(O)c(NC=O)c3)ncnc12
InChI Key: InChIKey=WOQFITNYMZQCRI-NDIYSDBASA-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 A1 (Homo sapiens (Human)) | BDBM25399 (Bivalent derivative, 18 | N-[5-(1-{9-[(2R,3R,4S,5R...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | Article PubMed | 1.91E+3 | -7.72 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Monash University | Assay Description The displacement of [3H]DPCPX binding from the A1AR was determined using DDT1 MF-2 cell membranes. Nonspecific binding was determined in parallel ass... | J Med Chem 51: 6128-37 (2008) Article DOI: 10.1021/jm800613s BindingDB Entry DOI: 10.7270/Q26M3554 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM25399 (Bivalent derivative, 18 | N-[5-(1-{9-[(2R,3R,4S,5R...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | Article PubMed | 2.30E+3 | -7.61 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Monash University | Assay Description The displacement of [125I]-(-)iodopindolol binding from the beta2AR was determined using DDT1 MF-2 cell membranes. Nonspecific binding was determined... | J Med Chem 51: 6128-37 (2008) Article DOI: 10.1021/jm800613s BindingDB Entry DOI: 10.7270/Q26M3554 | |||||||||||
More data for this Ligand-Target Pair |