| Compound ID |
Cluster
|
Compound Type
|
Target/Cell | Structure | Activity | Assay Description | Source | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|
|
Type
|
Relation
|
Value
|
Unit
|
||||||||
| NAs.000025 | 2 | ribose-match | Adenosine A2 receptor |  |
Other | = | 0.5 | None | Molar potency ratio (MPR) against adenosine A2 receptor of canine coronary artery | CHEMBL1123294 | |
| NAs.000025 | 2 | ribose-match | ADMET | |
Other | = | 1.54 | None | Index of hydrophobicity (k') | CHEMBL1123294 | |
| NAs.000981 | 2 | ribose-match | Adenosine A1 receptor |  |
Ki | = | 69.0 | nM | Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determined | CHEMBL1127835 | |
| NAs.000981 | 2 | ribose-match | Adenosine A2 receptor | |
Ki | = | 38.0 | nM | Binding affinity for A2-adenosine receptor by the displacement of specific [3H]-CGS- binding in rat striatal membranes was determined | CHEMBL1127835 | |
| NAs.000981 | 2 | ribose-match | Adenosine A3 receptor | |
Ki | = | 4.3 | nM | Binding affinity for recombinant rat A3-adenosine receptor by the displacement of specific [125I]APNEA or [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-5'-N-methyluronamide | CHEMBL1127835 | |
| NAs.000981 | 2 | ribose-match | Adenosine receptors; A1 & A3 | |
Other | = | 16.0 | None | Ratio of binding affinities for A1 receptor compared to that of A3 receptor | CHEMBL1127835 | |
| NAs.000981 | 2 | ribose-match | Unchecked | |
Other | = | 8.8 | None | Ratio of binding affinities for A2 receptor compared to that of A3 receptor | CHEMBL1127835 | |