BDBM50179030 (2S,3S,4R,5R)-3,4-Dihydroxy-5-(6-{3-[4-(pyridin-2-ylsulfamoyl)-phenyl]-ureido}-purin-9-yl)-tetrahydro-furan-2-carboxylic acid ethylamide::CHEMBL380943
SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ccccn3)ncnc12
InChI Key: InChIKey=GMZSVEGPESZJKL-QPXQOZNCSA-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 |
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Adenosine receptor A2a and A3 (Rattus norvegicus) | BDBM50179030 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-(6-{3-[4-(pyridin-2-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 54.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vigo University Curated by ChEMBL | Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells | Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a and A3 (Rattus norvegicus) | BDBM50179030 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-(6-{3-[4-(pyridin-2-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 54.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Sugar Cane Station"Villa Clara-Cienfuegos" Curated by ChEMBL | Assay Description Displacement of radioligand [125I]AB-MECA binding at rat A3 receptor expressed in CHO cells | Bioorg Med Chem Lett 15: 3491-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.122 BindingDB Entry DOI: 10.7270/Q24Q7VRZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50179030 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-(6-{3-[4-(pyridin-2-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 292 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Sugar Cane Station Curated by ChEMBL | Assay Description Inhibition of [3H]R-PIA binding to Adenosine A1 receptor from rat brain membrane | Bioorg Med Chem Lett 15: 2641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.028 BindingDB Entry DOI: 10.7270/Q2Z60PTD | |||||||||||
More data for this Ligand-Target Pair |