BDBM50118803 (2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylamino)-purin-9-yl]-1-oxa-7-aza-spiro[4.4]nonan-6-one::3,4-Dihydroxy-2-[6-(3-iodo-benzylamino)-purin-9-yl]-1-oxa-7-aza-spiro[4.4]nonan-6-one::CHEMBL344187
SMILES: O[C@@H]1[C@H](O)[C@]2(CCNC2=O)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12
InChI Key: InChIKey=GFHAZFGYXHKHAK-AHMDFLBRSA-N
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)) | BDBM50118803 ((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Binding affinity in membrane of CHO cell stably expressing recombinant human Adenosine A3 receptor in the presence of GTPgammaS using [3H]8-ethyl-4-m... | J Med Chem 45: 4471-84 (2002) BindingDB Entry DOI: 10.7270/Q2P84CMQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50118803 ((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Bnding affinity in membrane of CHO cell stably expressing recombinant human Adenosine A3 receptor using [3H]8-ethyl-4-methyl-2-phenyl-(8R)-4,5,7,8-te... | J Med Chem 45: 4471-84 (2002) BindingDB Entry DOI: 10.7270/Q2P84CMQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50118803 ((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter | J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50118803 ((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 29.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Affinity for human Adenosine A3 receptor expressed in CHO cell | J Med Chem 45: 4471-84 (2002) BindingDB Entry DOI: 10.7270/Q2P84CMQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50118803 ((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 29.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells | J Med Chem 50: 3159-62 (2007) Article DOI: 10.1021/jm070259t BindingDB Entry DOI: 10.7270/Q2513XXX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a and A3 (Rattus norvegicus) | BDBM50118803 ((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Binding affinity of adenosine derivative for endogenous rat Adenosine A3 receptor expressed on CHO cell | J Med Chem 45: 4471-84 (2002) BindingDB Entry DOI: 10.7270/Q2P84CMQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a and A3 (Rattus norvegicus) | BDBM50118803 ((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Binding affinity of adenosine derivative for endogenous rat Adenosine A3 receptor of RBL-2H3 | J Med Chem 45: 4471-84 (2002) BindingDB Entry DOI: 10.7270/Q2P84CMQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50118803 ((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor in CHO cells | J Med Chem 50: 3159-62 (2007) Article DOI: 10.1021/jm070259t BindingDB Entry DOI: 10.7270/Q2513XXX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50118803 ((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counter | J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50118803 ((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells | J Med Chem 50: 3159-62 (2007) Article DOI: 10.1021/jm070259t BindingDB Entry DOI: 10.7270/Q2513XXX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50118803 ((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in CHO cells after 60 mins by gamma counter | J Med Chem 55: 5676-703 (2012) Article DOI: 10.1021/jm300087j BindingDB Entry DOI: 10.7270/Q25H7HDK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transmembrane domain-containing protein TMIGD3 (Homo sapiens (Human)) | BDBM50118803 ((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...) | UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology Curated by ChEMBL | Assay Description Antagonist activity at adenosine A3 receptor in human NPE cells assessed as inhibition of adenosine-triggered cell shrinkage | J Med Chem 59: 788-809 (2016) BindingDB Entry DOI: 10.7270/Q25M67MM | |||||||||||
More data for this Ligand-Target Pair |