BDBM50179051 1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-6-yl)-3-((R)-1-phenylethyl)urea::CHEMBL203933
SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)N[C@H](C)c3ccccc3)ncnc12
InChI Key: InChIKey=YYTIZLABOXFLTR-LMNWYZMXSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Adenosine receptor A2a and A3 (Rattus norvegicus) | BDBM50179051 (1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Binding affinity against rat adenosine A3 receptor expressed in CHO cells using [125I]-. | J Med Chem 41: 3174-85 (1998) Article DOI: 10.1021/jm980147p BindingDB Entry DOI: 10.7270/Q2765G10 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a and A3 (Rattus norvegicus) | BDBM50179051 (1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 16.3 | 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 Receptors A2a (A2a) (Rattus norvegicus (rat)) | BDBM50179051 (1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 279 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Binding affinity against adenosine A2A receptor in rat striatal membranes using [3H]-CGS- 21680. | J Med Chem 41: 3174-85 (1998) Article DOI: 10.1021/jm980147p BindingDB Entry DOI: 10.7270/Q2765G10 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50179051 (1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 433 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara Curated by ChEMBL | Assay Description Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]R-PIA. | J Med Chem 41: 3174-85 (1998) Article DOI: 10.1021/jm980147p BindingDB Entry DOI: 10.7270/Q2765G10 | |||||||||||
More data for this Ligand-Target Pair |