BDBM50407234 CHEMBL2113557
SMILES: CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(SC)nc12
InChI Key: InChIKey=OIHRRULXBCUMIP-MOROJQBDSA-N
Data: 4 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) | BDBM50407234 (CHEMBL2113557) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Tested for the binding affinity of A3 receptor by displacing N6-[[125I]-4-amino-3-iodobenzyl]-adenosine-5''-N-methyluronamide from membranes of CHO ... | J Med Chem 37: 3614-21 (1994) BindingDB Entry DOI: 10.7270/Q2348M1V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50407234 (CHEMBL2113557) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Tested for the binding affinity of A1 receptor by displacing the [3H]-PIA in rat brain membranes | J Med Chem 37: 3614-21 (1994) BindingDB Entry DOI: 10.7270/Q2348M1V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50407234 (CHEMBL2113557) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Tested for the binding affinity of A2a receptor by displacing the [3H]-CGS- 21680 in rat striatal membranes | J Med Chem 37: 3614-21 (1994) BindingDB Entry DOI: 10.7270/Q2348M1V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Equilibrative nucleoside transporter 1 (Rattus norvegicus) | BDBM50407234 (CHEMBL2113557) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.95E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Inhibition of [3H]S-(4-Nitrobenzyl)-6-thioinosine binding to adenosine uptake sites in rat brain membranes | J Med Chem 37: 3614-21 (1994) BindingDB Entry DOI: 10.7270/Q2348M1V | |||||||||||
More data for this Ligand-Target Pair |