| Compound ID |
Cluster
|
Compound Type
|
Target/Cell | Structure | Activity | Assay Description | Source | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|
|
Type
|
Relation
|
Value
|
Unit
|
||||||||
| NAs.000003 | 8 | ribose-match | Adenosine A3 receptor |  |
Ki | = | 21.3 | nM | Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells | CHEMBL1142335 | |
| NAs.000003 | 8 | ribose-match | Adenosine A1 receptor | |
Other | = | 10.0 | % | Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells at 10 uM | CHEMBL1142335 | |
| NAs.000003 | 8 | ribose-match | Adenosine A2a receptor | |
Other | = | -1.0 | % | Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells at 10 uM | CHEMBL1142335 | |
| NAs.000003 | 8 | ribose-match | Adenosine A1 receptor | |
IC50 | >= | 10000.0 | nM | Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells | CHEMBL1142335 | |
| NAs.000003 | 8 | ribose-match | Adenosine A2a receptor | |
IC50 | >= | 10000.0 | nM | Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells | CHEMBL1142335 | |
| NAs.000231 | 8 | ribose-match | Adenosine A2a receptor |  |
Ki | = | 1.66 | nM | Binding Assay: CHO cells (ATCC No. CCL-61), in which A1 and A3 adenosine receptors were expressed, were cultured in F-12 media (Gibco, U.S.A.) supplemented with 10% fetal bovine serum (FBS) and penicillin/streptomycin (100 units/ml and 100 μg/ml), at 37°C in a 5% CO2 atmosphere. A predetermined amount of suitable hAR-expressed CHO cells was mixed with labeled ligands (1 nM [3H]CCPA and 0.5 nM [125I]AB-MECA) specifically binding to A1 and A3 adenosine receptors in a 50/10/1 buffer in test tubes . The derivatives of the present invention were dissolved at various concentrations in dimethylsulfoxide (DMSO) and diluted in the buffer, taking care that the final concentration of DMSO did not exceed 1%. Incubation for 1 hr in a 370C incubator was followed by rapid filtration in a vacuum using a cell collector (TOMTEC, U.S.A.). Subsequently, the test tubes were washed three times with 3 ml of the buffer before radioactivity was measured using a γ-counter. | CHEMBL3638376 | |
| NAs.001505 | 2 | ribose-match | Unchecked |  |
Other | = | 282.0 | None | Selectivity ratio of Ki for recombinant human adenosine A2A receptor expressed in CHO cell membranes to Ki for recombinant human adenosine A3 receptor expressed in CHO cell membranes | CHEMBL4049451 | |
| NAs.001505 | 2 | ribose-match | Unchecked | |
Other | = | 40.0 | None | Selectivity ratio of Ki for recombinant human adenosine A2A receptor expressed in CHO cell membranes to Ki for recombinant human adenosine A1 receptor expressed in CHO cell membranes | CHEMBL4049451 | |
| NAs.001505 | 2 | ribose-match | Adenosine A2b receptor | |
Other | >= | 90.0 | % | Agonist activity at recombinant human adenosine A2B receptor expressed in CHO cell membranes assessed as stimulation of adenylyl cyclase activity relative to NECA | CHEMBL4049451 | |
| NAs.001505 | 2 | ribose-match | Adenosine A2a receptor | |
Other | >= | 90.0 | % | Agonist activity at recombinant human adenosine A2A receptor expressed in CHO cell membranes assessed as stimulation of adenylyl cyclase activity relative to NECA | CHEMBL4049451 | |
| NAs.001505 | 2 | ribose-match | Adenosine A1 receptor | |
Other | >= | 90.0 | % | Agonist activity at recombinant human adenosine A1 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 10 mins relative to CCPA | CHEMBL4049451 | |
| NAs.001505 | 2 | ribose-match | Adenosine A3 receptor | |
EC50 | = | 7.61 | nM | Antagonist activity at recombinant human adenosine A3 receptor expressed in CHO cell membranes assessed as reversal of NECA-mediated inhibition of adenylyl cyclase activity after 10 mins by [alpha-32P]ATP assay | CHEMBL4049451 | |
| NAs.001505 | 2 | ribose-match | Adenosine receptors; A1 & A3 | |
Other | = | 0.14 | None | Selectivity ratio of Ki for recombinant human adenosine A3 receptor expressed in CHO cell membranes to Ki for recombinant human adenosine A1 receptor expressed in CHO cell membranes | CHEMBL4049451 | |
| NAs.001505 | 2 | ribose-match | Adenosine A2a receptor | |
EC50 | = | 16.0 | nM | Agonist activity at recombinant human adenosine A2A receptor expressed in CHO cell membranes assessed as stimulation of adenylyl cyclase activity by [alpha-32P]ATP assay | CHEMBL4049451 | |
| NAs.001505 | 2 | ribose-match | Adenosine A1 receptor | |
EC50 | = | 116.0 | nM | Agonist activity at recombinant human adenosine A1 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 10 mins in presence of [alpha-32P]ATP | CHEMBL4049451 | |
| NAs.001505 | 2 | ribose-match | Adenosine A3 receptor | |
Ki | = | 0.387 | nM | Displacement of [3H]HEMADO from recombinant human adenosine A3A receptor expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting | CHEMBL4049451 | |
| NAs.001505 | 2 | ribose-match | Adenosine A2a receptor | |
Ki | = | 110.0 | nM | Displacement of [3H]NECA from recombinant human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting | CHEMBL4049451 | |
| NAs.001505 | 2 | ribose-match | Adenosine A1 receptor | |
Ki | = | 2.71 | nM | Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting | CHEMBL4049451 | |
| NAs.001505 | 2 | ribose-match | Adenosine A2b receptor | |
EC50 | = | 2390.0 | nM | Agonist activity at recombinant human adenosine A2B receptor expressed in CHO cell membranes assessed as stimulation of adenylyl cyclase activity by [alpha-32P]ATP assay | CHEMBL4049451 | |
| NAs.002123 | 8 | ribose-match | Adenosine A3 receptor |  |
Other | = | 103.0 | % | Agonist activity at human recombinant adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production at 10 uM treated 45 mins before forskolin challenge measured after 15 mins by radioimmunoassay relative to NECA | CHEMBL1154768 | |
| NAs.002123 | 8 | ribose-match | Adenosine A3 receptor | |
Ki | = | 0.29 | nM | Displacement of [125I]AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by liquid scintillation counting | CHEMBL1154768 | |
| NAs.002123 | 8 | ribose-match | Adenosine A2a receptor | |
Ki | = | 2300.0 | nM | Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting | CHEMBL1154768 | |
| NAs.002123 | 8 | ribose-match | Adenosine A1 receptor | |
Ki | = | 260.0 | nM | Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by liquid scintillation counting | CHEMBL1154768 | |
| NAs.002433 | 8 | ribose-match | Serotonin 7 (5-HT7) receptor |  |
Other | < | 50.0 | % | Displacement of [3H]LSD from human 5-HT7A receptor expressed in HEK cell membranes at 10 uM incubated for 90 mins under dark condition by microbeta scintillation counting method relative to control | CHEMBL3862033 | |
| NAs.002433 | 8 | ribose-match | Serotonin 2a (5-HT2a) receptor | |
Ki | > | 10000.0 | nM | Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK-T cell membranes incubated for 90 mins under dark condition by microbeta scintillation counting method | CHEMBL3862033 | |
| NAs.002433 | 8 | ribose-match | Serotonin 3a (5-HT3a) receptor | |
Ki | = | 3260.0 | nM | Displacement of [3H]GR65630 from human 5-HT3 receptor expressed in HEK-T cell membranes incubated for 90 mins under dark condition by microbeta scintillation counting method | CHEMBL3862033 | |
| NAs.002433 | 8 | ribose-match | Serotonin 2a (5-HT2a) receptor | |
Other | < | 10.0 | % | Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK-T cell membranes at 10 uM incubated for 90 mins under dark condition by microbeta scintillation counting method relative to control | CHEMBL3862033 | |
| NAs.002433 | 8 | ribose-match | Serotonin 2b (5-HT2b) receptor | |
Ki | = | 2390.0 | nM | Displacement of [3H]lysergic from human 5-HT2BR expressed in HEK cell membranes incubated in dark for 90 mins by microbeta scintillation counting method | CHEMBL3862033 | |
| NAs.002433 | 8 | ribose-match | Serotonin 2b (5-HT2b) receptor | |
Other | > | 50.0 | % | Displacement of [3H]lysergic from human 5-HT2BR expressed in HEK cell membranes at 10 uM incubated for 90 mins under dark condition by microbeta scintillation counting method relative to control | CHEMBL3862033 | |
| NAs.002433 | 8 | ribose-match | Transmembrane domain-containing protein TMIGD3 | |
Ki | = | 4900.0 | nM | Displacement of [125l]N 6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from recombinant human A3AR expressed in CHO cell membranes after 60 mins by gamma counting method | CHEMBL3862033 | |
| NAs.002433 | 8 | ribose-match | Serotonin 2c (5-HT2c) receptor | |
Other | > | 50.0 | % | Displacement of [3H]mesulergine from human 5-HT2CR expressed in Flp-In HEK cell membranes at 10 uM incubated for 90 mins under dark condition by microbeta scintillation counting method relative to control | CHEMBL3862033 | |
| NAs.002433 | 8 | ribose-match | Adenosine A1 receptor | |
Ki | = | 1600.0 | nM | Displacement of [3H]N6-phenylisopropyladenosine from recombinant human A1AR expressed in CHO cell membranes after 60 mins by liquid scintillation counting method | CHEMBL3862033 | |
| NAs.002433 | 8 | ribose-match | Adenosine A2a receptor | |
Other | > | 50.0 | % | Displacement of [3 H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from recombinant human adenosine receptor A2A expressed in HEK293 cell membranes at 10 uM after 60 mins by liquid scintillation counting method relative to control | CHEMBL3862033 | |
| NAs.002433 | 8 | ribose-match | Serotonin 5a (5-HT5a) receptor | |
Other | < | 50.0 | % | Displacement of [3H]LSD from human 5-HT5A receptor expressed in Flp-In-CHO cell membranes incubated for 90 mins under dark condition by microbeta scintillation counting method relative to control | CHEMBL3862033 | |
| NAs.002433 | 8 | ribose-match | Serotonin 6 (5-HT6) receptor | |
Other | < | 50.0 | % | Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK cell membranes at 10 uM incubated for 90 mins under dark condition by microbeta scintillation counting method relative to control | CHEMBL3862033 | |
| NAs.002433 | 8 | ribose-match | Serotonin 2c (5-HT2c) receptor | |
Ki | = | 4100.0 | nM | Displacement of [3H]mesulergine from human 5-HT2CR expressed in Flp-In HEK cell membranes incubated for 90 mins under dark condition by microbeta scintillation counting method | CHEMBL3862033 | |
| NAs.002433 | 8 | ribose-match | Serotonin 4 (5-HT4) receptor | |
Other | < | 50.0 | % | Displacement of [3H]GR113808 from human 5-HT4 receptor at 10 uM incubated for 90 mins under dark condition by microbeta scintillation counting method relative to control | CHEMBL3862033 | |
| NAs.002433 | 8 | ribose-match | Adenosine A2a receptor | |
Ki | = | 4520.0 | nM | Displacement of [3 H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from recombinant human adenosine receptor A2A expressed in HEK293 cell membranes after 60 mins by liquid scintillation counting method | CHEMBL3862033 | |
| NAs.002433 | 8 | ribose-match | Serotonin 1b (5-HT1b) receptor | |
Other | < | 50.0 | % | Displacement of [3H]5-CT from human 5-HT1BR expressed in HEK cell membranes at 10 uM incubated for 90 mins under dark condition by microbeta scintillation counting method relative to control | CHEMBL3862033 | |
| NAs.002433 | 8 | ribose-match | Adenosine A1 receptor | |
Ki | = | 3070.0 | nM | Displacement of [3H]CCPA form human adenosine A1 receptor expressed in CHO cells | CHEMBL1144175 | |
| NAs.002433 | 8 | ribose-match | Adenosine A2a receptor | |
Ki | = | 4510.0 | nM | Displacement of [3H]R-PIA form human adenosine A2A receptor expressed in HEK cells | CHEMBL1144175 | |
| NAs.002433 | 8 | ribose-match | Adenosine A3 receptor | |
Ki | = | 1.06 | nM | Displacement of [3H]CGS21680 form human adenosine A3 receptor expressed in CHO cells | CHEMBL1144175 | |
| NAs.002433 | 8 | ribose-match | Serotonin 1e (5-HT1e) receptor | |
Other | < | 50.0 | % | Displacement of [3H]5-HT from human 5-HT1E receptor expressed in HEK cell membranes at 10 uM incubated for 90 mins under dark condition by microbeta scintillation counting method relative to control | CHEMBL3862033 | |
| NAs.002433 | 8 | ribose-match | Adenosine A3 receptor | |
Other | = | 2.9 | % | Antagonist activity at human adenosine A3 receptor expressed in CHO cells at 10 uM by [35S]GTPgammaS binding assay relative to NECA | CHEMBL1144175 | |
| NAs.002433 | 8 | ribose-match | Unchecked | |
Other | = | 4250.0 | None | Selectivity for human adenosine A3 receptor expressed in CHO cells over human adenosine A2A receptor expressed in HEK cells | CHEMBL1144175 | |
| NAs.002433 | 8 | ribose-match | Adenosine receptors; A1 & A3 | |
Other | = | 2900.0 | None | Selectivity for human adenosine A3 receptor over human adenosine A1 receptor expressed in CHO cells | CHEMBL1144175 | |
| NAs.002433 | 8 | ribose-match | Adenosine A2a receptor | |
Ki | = | 4510.0 | nM | Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting | CHEMBL1154768 | |
| NAs.002433 | 8 | ribose-match | Adenosine A1 receptor | |
Ki | = | 3070.0 | nM | Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by liquid scintillation counting | CHEMBL1154768 | |
| NAs.002433 | 8 | ribose-match | Adenosine A3 receptor | |
Other | = | 2.9 | % | Agonist activity at human recombinant adenosine A3 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding at 10 uM relative to NECA | CHEMBL1154768 | |
| NAs.002433 | 8 | ribose-match | Serotonin 1a (5-HT1a) receptor | |
Other | < | 50.0 | % | Displacement of [3H]WAY100635 from human 5-HT1AR expressed in CHO cell membranes at 10 uM incubated for 90 mins under dark condition by microbeta scintillation counting method relative to control | CHEMBL3862033 | |