Compound ID |
Cluster
|
Compound Type
|
Target/Cell | Structure | Activity | Assay Description | Source | ||||
---|---|---|---|---|---|---|---|---|---|---|---|
Type
|
Relation
|
Value
|
Unit
|
||||||||
NAs.000046 | 2 | all-match | Adenosine A1 receptor | ![]() |
Other | = | 42.8 | % | Ability to displace [3H]DPCPX from Adenosine A1 receptor in rat cortical membrane at 10e-5 M | CHEMBL1135807 | |
NAs.000046 | 2 | all-match | Adenosine A2a receptor | ![]() |
Ki | = | 3900.0 | nM | Binding affinity at Adenosine A2A receptor in rat striatal membrane by [3H]ZM-241385 displacement. | CHEMBL1135807 | |
NAs.000046 | 2 | all-match | Adenosine A3 receptor | ![]() |
Ki | = | 257.0 | nM | Binding affinity at human Adenosine A3 receptor expressed in HEK 293 cells by [125I]-AB MECA displacement. | CHEMBL1135807 | |
NAs.000046 | 2 | all-match | Adenosine A2a receptor | ![]() |
Other | = | 100.0 | % | Maximum level of G-protein activation (Emax) compared to CGS 21680 through Adenosine A2A receptor in CHO cells using cAMP assay | CHEMBL1135807 | |
NAs.000046 | 2 | all-match | Adenosine A3 receptor | ![]() |
Other | = | 41.0 | % | % inhibition of forskolin induced (10 uM) cAMP production compared to C1-IB-MECA through Adenosine A3 receptor expressed in CHO cells at 30 uM | CHEMBL1135807 | |
NAs.000046 | 2 | all-match | Trypanosoma brucei rhodesiense | ![]() |
IC50 | = | 5000.0 | nM | Antitrypanosomal activity against bloodstream forms of Trypanosoma brucei rhodesiense STIB900 trypomastigotes after 72 hrs by alamar blue assay | CHEMBL3997846 | |
NAs.000046 | 2 | all-match | Unchecked | ![]() |
Other | = | 27.0 | None | Selectivity index, ratio of IC50 for rat L6 cells to IC50 for bloodstream forms of Trypanosoma brucei rhodesiense STIB900 trypomastigotes | CHEMBL3997846 | |
NAs.000046 | 2 | all-match | Trypanosoma cruzi | ![]() |
IC50 | = | 88000.0 | nM | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen strain C2C4 amastigote forms harboring LacZ infected in rat L6 cells after 96 hrs by CPRG/Nonidet reagent based photometric method | CHEMBL3997846 | |
NAs.000046 | 2 | all-match | Unchecked | ![]() |
Other | = | 2.0 | None | Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Trypanosoma cruzi Tulahuen strain C2C4 amastigote forms harboring LacZ infected in rat L6 cells | CHEMBL3997846 | |
NAs.000046 | 2 | all-match | Leishmania donovani | ![]() |
IC50 | = | 132000.0 | nM | Antileishmanial activity against Leishmania donovani MHOM/SD/62/ISCL2D axenic amastigotes after 72 hrs by alamar blue assay | CHEMBL3997846 | |
NAs.000046 | 2 | all-match | Unchecked | ![]() |
Other | = | 1.0 | None | Selectivity index, ratio of IC50 for rat L6 cells to IC50 for Leishmania donovani MHOM/SD/62/ISCL2D axenic amastigotes | CHEMBL3997846 | |
NAs.000187 | 2 | all-match | Adenosine A3 receptor | ![]() |
Other | = | 10.0 | % | % inhibition of forskolin induced (10 uM) cAMP production compared to C1-IB-MECA through Adenosine A3 receptor expressed in CHO cells at 30 uM | CHEMBL1135807 | |
NAs.000187 | 2 | all-match | Adenosine A2a receptor | ![]() |
Other | = | 30.0 | % | Maximum level of G-protein activation (Emax) compared to CGS 21680 through Adenosine A2A receptor expressed in CHO cells using cAMP assay | CHEMBL1135807 | |
NAs.000187 | 2 | all-match | Adenosine A2a receptor | ![]() |
Ki | = | 440.0 | nM | Binding affinity at Adenosine A2A receptor in rat striatal membrane by [3H]ZM-241385 displacement. | CHEMBL1135807 | |
NAs.000187 | 2 | all-match | Adenosine A1 receptor | ![]() |
Ki | = | 1050.0 | nM | Ability to displace [3H]DPCPX from Adenosine A1 receptor in rat cortical membrane | CHEMBL1135807 | |
NAs.000187 | 2 | all-match | Adenosine A3 receptor | ![]() |
Ki | = | 558.0 | nM | Binding affinity at human Adenosine A3 receptor expressed in HEK 293 cells by [125I]-AB MECA displacement. | CHEMBL1135807 | |
NAs.000230 | 2 | all-match | Adenosine A1 receptor | ![]() |
Ki | = | 386.0 | nM | Ability to displace [3H]DPCPX from Adenosine A1 receptor in rat cortical membrane | CHEMBL1135807 | |
NAs.000230 | 2 | all-match | Adenosine A2a receptor | ![]() |
Ki | = | 1200.0 | nM | Binding affinity at Adenosine A2A receptor in rat striatal membrane by [3H]ZM-241385 displacement. | CHEMBL1135807 | |
NAs.000230 | 2 | all-match | Adenosine A3 receptor | ![]() |
Ki | = | 395.0 | nM | Binding affinity at human Adenosine A3 receptor expressed in HEK 293 cells by [125I]-AB MECA displacement. | CHEMBL1135807 | |
NAs.000230 | 2 | all-match | Adenosine A2a receptor | ![]() |
Other | = | 100.0 | % | Maximum level of G-protein activation (Emax) compared to CGS 21680 through Adenosine A2A receptor expressed in CHO cells using cAMP assay | CHEMBL1135807 | |
NAs.000230 | 2 | all-match | Adenosine A3 receptor | ![]() |
Other | = | 14.0 | % | % inhibition of forskolin induced (10 uM) cAMP production compared to C1-IB-MECA through Adenosine A3 receptor expressed in CHO cells at 30 uM | CHEMBL1135807 | |
NAs.000334 | 2 | all-match | Adenosine A3 receptor | ![]() |
Ki | = | 297.0 | nM | Binding affinity at human Adenosine A3 receptor expressed in HEK 293 cells by [125I]-AB MECA displacement. | CHEMBL1135807 | |
NAs.000334 | 2 | all-match | Adenosine A3 receptor | ![]() |
Other | = | 68.0 | % | % inhibition of forskolin induced (10 uM) cAMP production compared to C1-IB-MECA through Adenosine A3 receptor expressed in CHO cells at 30 uM | CHEMBL1135807 | |
NAs.000334 | 2 | all-match | Adenosine A2a receptor | ![]() |
EC50 | = | 5400.0 | nM | G-protein activation in human Adenosine A2A receptor expressed in CHO cells using cAMP assay | CHEMBL1135807 | |
NAs.000334 | 2 | all-match | Adenosine A2a receptor | ![]() |
Other | = | 112.0 | % | Maximum level of G-protein activation (Emax) compared to CGS 21680 through Adenosine A2A receptor expressed in CHO cells using cAMP assay | CHEMBL1135807 | |
NAs.000334 | 2 | all-match | Adenosine A2a receptor | ![]() |
Ki | = | 4200.0 | nM | Binding affinity at Adenosine A2A receptor in rat striatal membrane by [3H]ZM-241385 displacement. | CHEMBL1135807 | |
NAs.000334 | 2 | all-match | ADMET | ![]() |
Other | = | 9.1 | % | Percentage of apoptotic cells in human peripheral blood mononuclear cells after 72 hour incubation at the concentration 1 uM | CHEMBL1130967 | |
NAs.000334 | 2 | all-match | ADMET | ![]() |
Other | = | 12.2 | % | Percentage of apoptotic cells in human peripheral blood mononuclear cells after 72 hour incubation at the concentration 60 uM | CHEMBL1130967 | |
NAs.000334 | 2 | all-match | ADMET | ![]() |
Other | = | 12.0 | % | Percentage of apoptotic cells in human peripheral blood mononuclear cells after 72 hour incubation at the concentration 30 uM | CHEMBL1130967 | |
NAs.000334 | 2 | all-match | ADMET | ![]() |
Other | = | 12.1 | % | Percentage of apoptotic cells in human peripheral blood mononuclear cells after 72 hour incubation at the concentration 10 uM | CHEMBL1130967 | |
NAs.000334 | 2 | all-match | Adenosine A1 receptor | ![]() |
Other | = | 36.1 | % | Ability to displace [3H]DPCPX from Adenosine A1 receptor in rat cortical membrane at 10e-5 M | CHEMBL1135807 | |
NAs.000542 | 2 | all-match | Adenosine A2a receptor | ![]() |
Other | = | 100.0 | % | Maximum level of G-protein activation (Emax) compared to CGS 21680 through Adenosine A2A receptor in CHO cells using cAMP assay | CHEMBL1135807 | |
NAs.000542 | 2 | all-match | Adenosine A3 receptor | ![]() |
Ki | = | 546.0 | nM | Binding affinity at human Adenosine A3 receptor expressed in HEK 293 cells by [125I]-AB MECA displacement. | CHEMBL1135807 | |
NAs.000542 | 2 | all-match | Adenosine A3 receptor | ![]() |
Other | = | 17.0 | % | % inhibition of forskolin induced (10 uM) cAMP production compared to C1-IB-MECA through Adenosine A3 receptor expressed in CHO cells at 30 uM | CHEMBL1135807 | |
NAs.000542 | 2 | all-match | Adenosine A1 receptor | ![]() |
Other | = | 56.2 | % | Ability to displace [3H]DPCPX from Adenosine A1 receptor in rat cortical membrane at 10e-5 M | CHEMBL1135807 | |
NAs.000542 | 2 | all-match | Adenosine A2a receptor | ![]() |
Ki | = | 820.0 | nM | Binding affinity at Adenosine A2A receptor in rat striatal membrane by [3H]ZM-241385 displacement. | CHEMBL1135807 | |
NAs.001038 | 2 | all-match | DNA (cytosine-5)-methyltransferase 1 | ![]() |
IC50 | = | 21000.0 | nM | Inhibition of human recombinant DNMT1 expressed in baculovirus infected high five insect cells | CHEMBL1151871 | |
NAs.001038 | 2 | all-match | DNA (cytosine-5)-methyltransferase 3B | ![]() |
IC50 | = | 256000.0 | nM | Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells | CHEMBL1151871 | |
NAs.001164 | 4 | all-match | Unchecked | ![]() |
IC50 | > | 50000.0 | nM | Inhibition of horse liver lactate dehydrogenase | CHEMBL1138261 | |
NAs.001164 | 4 | all-match | Unchecked | ![]() |
IC50 | > | 50000.0 | nM | Inhibition of horse liver malate dehydrogenase | CHEMBL1138261 | |
NAs.001164 | 4 | all-match | Inosine-5'-monophosphate dehydrogenase 1 | ![]() |
Ki | = | 19.0 | nM | Inhibition of human IMPDH type 1 | CHEMBL1138261 | |
NAs.001164 | 4 | all-match | Inosine-5'-monophosphate dehydrogenase 2 | ![]() |
Ki | = | 84.0 | nM | Inhibition of human IMPDH type 2 | CHEMBL1138261 | |
NAs.001164 | 4 | all-match | Unchecked | ![]() |
IC50 | None | None | None | Inhibition of horse liver alcohol dehydrogenase | CHEMBL1138261 | |
NAs.001164 | 4 | all-match | Unchecked | ![]() |
Ki | = | 20.0 | nM | Inhibition of human IMPDH | CHEMBL1152430 |