BDBM50300874 (2R,3R,4S,5R)-2-(6-amino-2-(benzylthio)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol::CHEMBL577458
SMILES: Nc1nc(SCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI Key: InChIKey=NHKVVDFZMRMNRB-XNIJJKJLSA-N
Data: 5 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 A3 (Homo sapiens (Human)) | BDBM50300874 ((2R,3R,4S,5R)-2-(6-amino-2-(benzylthio)-9H-purin-9...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins | J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50300874 ((2R,3R,4S,5R)-2-(6-amino-2-(benzylthio)-9H-purin-9...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 249 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 60 mins | J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50300874 ((2R,3R,4S,5R)-2-(6-amino-2-(benzylthio)-9H-purin-9...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 606 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins | J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50300874 ((2R,3R,4S,5R)-2-(6-amino-2-(benzylthio)-9H-purin-9...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 927 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 60 mins | J Med Chem 52: 7669-77 (2009) Article DOI: 10.1021/jm900538v BindingDB Entry DOI: 10.7270/Q2J10379 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine deaminase (Bos taurus (bovine)) | BDBM50300874 ((2R,3R,4S,5R)-2-(6-amino-2-(benzylthio)-9H-purin-9...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bar-Ilan University Curated by ChEMBL | Assay Description Inhibition of calf intestine adenosine deaminase by Lineweaver-Burk plot analysis | J Med Chem 54: 107-21 (2011) Article DOI: 10.1021/jm101286g BindingDB Entry DOI: 10.7270/Q2K64K1Z | |||||||||||
More data for this Ligand-Target Pair |