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.000055 | 2 | all-match | Adenosine A2a receptor | ![]() |
EC50 | = | 700.0 | nM | G-protein activation in human Adenosine A2A receptor expressed in CHO cells using cAMP assay | CHEMBL1135807 | |
NAs.000055 | 2 | all-match | Adenosine A2a receptor | ![]() |
Other | = | 45.0 | % | Maximum level of G-protein activation (Emax) compared to CGS 21680 through Adenosine A2A receptor expressed in CHO cells using cAMP assay | CHEMBL1135807 | |
NAs.000055 | 2 | all-match | Adenosine A3 receptor | ![]() |
Other | = | 72.0 | % | Percent inhibition of forskolin induced (10 uM) cAMP production compared to C1-IB-MECA through Adenosine A3 receptor expressed in CHO cells at 3 uM | CHEMBL1135807 | |
NAs.000055 | 2 | all-match | Adenosine A2a receptor | ![]() |
Ki | = | 60.0 | nM | Binding affinity at Adenosine A2A receptor in rat striatal membrane by [3H]ZM-241385 displacement. | CHEMBL1135807 | |
NAs.000055 | 2 | all-match | Adenosine A1 receptor | ![]() |
Other | = | 35.9 | % | Ability to displace [3H]DPCPX from Adenosine A1 receptor in rat cortical membrane at 10e-5 M | CHEMBL1135807 | |
NAs.000055 | 2 | all-match | Adenosine A3 receptor | ![]() |
Ki | = | 14.5 | nM | Binding affinity at human Adenosine A3 receptor expressed in HEK 293 cells by [125I]-AB MECA displacement. | CHEMBL1135807 | |
NAs.000056 | 2 | all-match | S-methyl-5-thioadenosine phosphorylase | ![]() |
Other | = | 106000.0 | nM | Km against human methylthioadenosine phosphorylase expressed in Escherichia coli BL21 DE3 cells | CHEMBL1139590 | |
NAs.000056 | 2 | all-match | S-methyl-5-thioadenosine phosphorylase | ![]() |
Other | = | 0.0065 | 1/sec | Kcat against human methylthioadenosine phosphorylase expressed in Escherichia coli BL21 DE3 cells | CHEMBL1139590 | |
NAs.000056 | 2 | all-match | S-methyl-5-thioadenosine phosphorylase | ![]() |
Other | = | 5000.0 | nM | Km for human MTAP | CHEMBL1140320 | |
NAs.000056 | 2 | all-match | Adenosylhomocysteinase | ![]() |
Other | = | 48.0 | % | Percentage enzyme activity remaining was measured by the inhibition S-adenosyl-L-homocysteine hydrolase from bovine liver at 1 uM | CHEMBL1125934 | |
NAs.000056 | 2 | all-match | Adenosylhomocysteinase | ![]() |
Other | = | 66.0 | % | Percentage enzyme activity remaining was measured by the inhibition S-adenosyl-L-homocysteine hydrolase from bovine liver at 100 uM | CHEMBL1125934 | |
NAs.000056 | 2 | all-match | Adenosylhomocysteinase | ![]() |
Other | = | 86.0 | % | Percentage enzyme activity remaining was measured by the inhibition S-adenosyl-L-homocysteine hydrolase from bovine liver at 0.1 uM | CHEMBL1125934 | |
NAs.000056 | 2 | all-match | Adenosylhomocysteinase | ![]() |
Other | = | 101.0 | % | Percentage enzyme activity remaining was measured by the inhibition S-adenosyl-L-homocysteine hydrolase from bovine liver at 0.01 uM | CHEMBL1125934 | |
NAs.000056 | 2 | all-match | L5178Y | ![]() |
Other | = | 0.43 | None | Effect of compound on spermine(SPM) polyamine pool in L5178Y murine leukemia cells expressed in terms of nmol/10e6 cells | CHEMBL1125934 | |
NAs.000056 | 2 | all-match | L5178Y | ![]() |
Other | = | 1.85 | None | Effect of compound on putrescine(PUT) polyamine pool in L5178Y murine leukemia cells expressed as nmol/10e6 cells | CHEMBL1125934 | |
NAs.000056 | 2 | all-match | L1210 | ![]() |
Other | = | 0.19 | None | Effect of compound on spermine(SPM) polyamine pool in L1210 murine leukemia cells expressed in terms of nmol/10e6 cells | CHEMBL1125934 | |
NAs.000056 | 2 | all-match | L1210 | ![]() |
Other | = | 1.22 | None | Effect of compound on spermidine(SPD) polyamine pool in L1210 murine leukemia cells expressed in terms of nmol/10e6 cells | CHEMBL1125934 | |
NAs.000056 | 2 | all-match | L1210 | ![]() |
Other | = | 1.93 | None | Effect of compound on putrescine(PUT) polyamine pool in L1210 murine leukemia cells expressed in terms of nmol/10e6 cells | CHEMBL1125934 | |
NAs.000056 | 2 | all-match | MOLT-4 | ![]() |
IC50 | = | 11000.0 | nM | The concentration required to inhibit cell growth by 50% was measured on human MOLT-4 cells (96h after exposure) | CHEMBL1125934 | |
NAs.000056 | 2 | all-match | S-methyl-5-thioadenosine phosphorylase | ![]() |
Other | = | 0.0001 | 1/uM*sec | Ratio of Kcat to Km against human Methylthioadenosine phosphorylase | CHEMBL1139590 | |
NAs.000056 | 2 | all-match | L5178Y | ![]() |
Other | = | 2.79 | None | Effect of compound on spermidine(SPD) polyamine pool in L5178Y murine leukemia cells expressed in terms of nmol/10e6 cells | CHEMBL1125934 | |
NAs.000056 | 2 | all-match | S-methyl-5-thioadenosine phosphorylase | ![]() |
Other | = | 4.6 | 1/sec | Kcat against human methylthioadenosine phosphorylase expressed in Escherichia coli BL21 DE3 cells | CHEMBL1139590 | |
NAs.000056 | 2 | all-match | Trypanosoma brucei brucei | ![]() |
IC50 | = | 100000.0 | nM | Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei LAB 110 EATRO after 48 hrs by Z1 zoulter counter | CHEMBL1151452 | |
NAs.000056 | 2 | all-match | S-methyl-5-thioadenosine phosphorylase | ![]() |
Other | = | 3.2 | 1/uM*sec | Ratio of Kcat to Km against human Methylthioadenosine phosphorylase | CHEMBL1139590 | |
NAs.000056 | 2 | all-match | PRMT5/MEP50 complex | ![]() |
Other | = | 661.0 | nM | Inhibition of streptavidin sensor chip immobilized biotinylated human PRMT5/MEP50 assessed as dissociation constant by SPR analysis | CHEMBL5046262 | |
NAs.000056 | 2 | all-match | Unchecked | ![]() |
Other | None | None | % | Inhibition of protein kinase in human HuH7 cells assessed as increase in ATP level at 5 uM after 72 hrs by Kinase-Glo assay | CHEMBL2040791 | |
NAs.000056 | 2 | all-match | Unchecked | ![]() |
Other | = | 100.0 | % | Activity at mouse liver 5'-deoxy-5'-(methylthio)-adenosine phosphorylase | CHEMBL1151452 | |
NAs.000056 | 2 | all-match | Unchecked | ![]() |
Other | = | 100.0 | % | Activity at bloodstream Trypanosoma brucei brucei 5'-deoxy-5'-(methylthio)-adenosine phosphorylase by spectrophotometry relative to control | CHEMBL1151452 | |
NAs.000056 | 2 | all-match | Unchecked | ![]() |
Other | = | 100.0 | % | Activity at bloodstream Trypanosoma brucei brucei 5'-deoxy-5'-(methylthio)-adenosine phosphorylase by spectrophotometry in presence of 50 mM PO4- relative to control | CHEMBL1151452 | |
NAs.000056 | 2 | all-match | Trypanosoma brucei brucei | ![]() |
IC50 | None | None | None | Antitrypanosomal activity against diamidine and melarsoprol-resistant bloodstream form of Trypanosoma brucei brucei isolate KETRI 243-As10-3 after 48 hrs by Z1 zoulter counter | CHEMBL1151452 | |
NAs.000056 | 2 | all-match | Trypanosoma brucei brucei | ![]() |
IC50 | None | None | None | Antitrypanosomal activity against pentamidine-resistant bloodstream form of Trypanosoma brucei brucei isolate KETRI 269 after 48 hrs by Z1 zoulter counter | CHEMBL1151452 | |
NAs.000056 | 2 | all-match | Trypanosoma brucei brucei | ![]() |
IC50 | None | None | None | Antitrypanosomal activity against pentamidine and melarsoprol-resistant bloodstream form of Trypanosoma brucei brucei isolate KETRI 243 after 48 hrs by Z1 zoulter counter | CHEMBL1151452 | |
NAs.000056 | 2 | all-match | CCRF-CEM | ![]() |
IC50 | = | 150000.0 | nM | The concentration required to inhibit cell growth by 50% was measured on human CCRF-CEM cells (96h after exposure) | CHEMBL1125934 | |
NAs.000056 | 2 | all-match | Spermidine synthase | ![]() |
IC50 | = | 159000.0 | nM | Inhibition of Plasmodium falciparum spermidine synthase | CHEMBL1150259 | |
NAs.000056 | 2 | all-match | 5-methylthioadenosine/S-adenosylhomocysteine deaminase | ![]() |
Other | = | 1.5 | 10^5/M/s | Ratio of Kcat to Km for Thermotoga maritima S-adenosyl-homocysteine deaminase Tm0936 assessed as ammonia production | CHEMBL1145524 | |
NAs.000056 | 2 | all-match | 5-methylthioadenosine/S-adenosylhomocysteine deaminase | ![]() |
Other | = | 7.2 | /s | Activity of Thermotoga maritima S-adenosyl-homocysteine deaminase Tm0936 assessed as ammonia production | CHEMBL1145524 | |
NAs.000056 | 2 | all-match | 5-methylthioadenosine/S-adenosylhomocysteine deaminase | ![]() |
Other | = | 44000.0 | nM | Activity of Thermotoga maritima S-adenosyl-homocysteine deaminase Tm0936 assessed as ammonia production | CHEMBL1145524 | |
NAs.000056 | 2 | all-match | Unchecked | ![]() |
Other | None | None | None | Inhibition of M.HhaI DNA methyltransferase expressed in ER1727 cells at 15 uM after 30 mins | CHEMBL1142331 | |
NAs.000056 | 2 | all-match | Unchecked | ![]() |
Other | None | None | None | Inhibition of Escherichia coli DNA methyltransferase at 15 uM after 30 mins | CHEMBL1142331 |