BDBM50124121 2-{2-chloro-6-[(3-iodobenzyl)amino]-9H-purin-9-yl}-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-3-ol::CHEMBL168567
SMILES: OCC1OC(C(O)C1F)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
InChI Key: InChIKey=BFUXSXWTXVGUOA-UHFFFAOYSA-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 receptor A3 (Homo sapiens (Human)) | BDBM50124121 (2-{2-chloro-6-[(3-iodobenzyl)amino]-9H-purin-9-yl}...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Displacement of [125I]AB-MECA from human Adenosine A3 receptor in CHO cells (hA3) | Bioorg Med Chem Lett 13: 817-20 (2003) BindingDB Entry DOI: 10.7270/Q2M32WB7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50124121 (2-{2-chloro-6-[(3-iodobenzyl)amino]-9H-purin-9-yl}...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Displacement of [3H]PIA from Adenosine A1 receptor in rat brain membrane | Bioorg Med Chem Lett 13: 817-20 (2003) BindingDB Entry DOI: 10.7270/Q2M32WB7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50124121 (2-{2-chloro-6-[(3-iodobenzyl)amino]-9H-purin-9-yl}...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor in rat brain membrane | Bioorg Med Chem Lett 13: 817-20 (2003) BindingDB Entry DOI: 10.7270/Q2M32WB7 | |||||||||||
More data for this Ligand-Target Pair |