BDBM50122927 (2S,3S,4R,5R)-3,4-dihydroxy-N-methyl-5-(6-(methylamino)-9H-purin-9-yl)-tetrahydrofuran-2-carboxamide::3,4-Dihydroxy-5-(6-methylamino-purin-9-yl)-tetrahydro-furan-2-carboxylic acid methylamide::CHEMBL413507
SMILES: CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12
InChI Key: InChIKey=NTQYWAFBAOISIM-FLNNQWSLSA-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)) | BDBM50122927 ((2S,3S,4R,5R)-3,4-dihydroxy-N-methyl-5-(6-(methyla...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Binding affinity using [125I]-ABA against human Adenosine A3 receptor | J Med Chem 46: 353-5 (2003) Article DOI: 10.1021/jm0255724 BindingDB Entry DOI: 10.7270/Q2416WDM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50122927 ((2S,3S,4R,5R)-3,4-dihydroxy-N-methyl-5-(6-(methyla...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Binding affinity to human adenosine A3 receptor | Bioorg Med Chem Lett 16: 2525-7 (2006) Article DOI: 10.1016/j.bmcl.2006.01.088 BindingDB Entry DOI: 10.7270/Q2J38S4Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50122927 ((2S,3S,4R,5R)-3,4-dihydroxy-N-methyl-5-(6-(methyla...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Binding affinity using [125I]-ABA against human Adenosine A1 receptor | J Med Chem 46: 353-5 (2003) Article DOI: 10.1021/jm0255724 BindingDB Entry DOI: 10.7270/Q2416WDM | |||||||||||
More data for this Ligand-Target Pair |