| Compound ID |
Cluster
|
Compound Type
|
Target/Cell | Structure | Activity | Assay Description | Source | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|
|
Type
|
Relation
|
Value
|
Unit
|
||||||||
| NAs.000401 | 4 | all-match | SARS-CoV-2 |  |
Other | = | 6.97 | % | Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging | CHEMBL4303101 | |
| NAs.000401 | 4 | all-match | Unchecked | |
Other | = | 0.11 | microM/s | Inhibition of Escherichia coli FabI G93V mutant assessed as ratio of Kcat/Km | CHEMBL4673265 | |
| NAs.000401 | 4 | all-match | Unchecked | |
Other | = | 0.004 | microM/s | Inhibition of Escherichia coli FabI Y156V mutant assessed as ratio of Kcat/Km | CHEMBL4673265 | |
| NAs.000401 | 4 | all-match | Unchecked | |
Other | = | 0.009 | microM/s | Inhibition of Escherichia coli FabI F203V mutant assessed as ratio of Kcat/Km | CHEMBL4673265 | |
| NAs.000401 | 4 | all-match | Unchecked | |
Other | = | 0.07 | microM/s | Inhibition of Escherichia coli FabI F203L mutant assessed as ratio of Kcat/Km | CHEMBL4673265 | |
| NAs.000401 | 4 | all-match | Enoyl-[acyl-carrier-protein] reductase | |
Other | = | 0.15 | microM/s | Inhibition of wild-type Escherichia coli FabI assessed as ratio of Kcat/Km | CHEMBL4673265 | |
| NAs.000401 | 4 | all-match | Unchecked | |
Other | = | 41700.0 | nM | Inhibition of Escherichia coli FabI Y156V mutant assessed as reduction in Km | CHEMBL4673265 | |
| NAs.000401 | 4 | all-match | Unchecked | |
Other | = | 44200.0 | nM | Inhibition of Escherichia coli FabI F203V mutant assessed as reduction in Km | CHEMBL4673265 | |
| NAs.000401 | 4 | all-match | Unchecked | |
Other | = | 51500.0 | nM | Inhibition of Escherichia coli FabI F203L mutant assessed as reduction in Km | CHEMBL4673265 | |
| NAs.000401 | 4 | all-match | Unchecked | |
Other | = | 30900.0 | nM | Inhibition of Escherichia coli FabI G93V mutant assessed as reduction in Km | CHEMBL4673265 | |
| NAs.000401 | 4 | all-match | Unchecked | |
Other | = | 3.44 | /s | Inhibition of Escherichia coli FabI G93V mutant catalytic activity | CHEMBL4673265 | |
| NAs.000401 | 4 | all-match | Enoyl-[acyl-carrier-protein] reductase | |
Other | = | 70200.0 | nM | Inhibition of wild-type Escherichia coli FabI assessed as reduction in Km | CHEMBL4673265 | |
| NAs.000401 | 4 | all-match | SARS-CoV-2 | |
Other | = | -0.01 | % | Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging | CHEMBL4495565 | |
| NAs.000401 | 4 | all-match | SARS-CoV-2 | |
Other | = | -0.01 | % | Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging | CHEMBL4495565 | |
| NAs.000401 | 4 | all-match | Enoyl-[acyl-carrier-protein] reductase | |
Other | = | 10.8 | /s | Inhibition of wild-type Escherichia coli FabI catalytic activity | CHEMBL4673265 | |
| NAs.000401 | 4 | all-match | Replicase polyprotein 1ab | |
Other | = | 10.98 | % | SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate | CHEMBL4495564 | |
| NAs.000401 | 4 | all-match | Unchecked | |
Other | = | 0.38 | /s | Inhibition of Escherichia coli FabI F203V mutant catalytic activity | CHEMBL4673265 | |
| NAs.000401 | 4 | all-match | Unchecked | |
Other | = | 0.16 | /s | Inhibition of Escherichia coli FabI Y156V mutant catalytic activity | CHEMBL4673265 | |
| NAs.000401 | 4 | all-match | Unchecked | |
Other | = | 3.65 | /s | Inhibition of Escherichia coli FabI F203L mutant catalytic activity | CHEMBL4673265 | |
| NAs.002385 | 4 | all-match | Ketopantoate reductase |  |
Other | = | 66000.0 | nM | Binding affinity to Escherichia coli KPR | CHEMBL1145346 | |
| NAs.002385 | 4 | all-match | Alcohol dehydrogenase alpha chain | |
Ki | = | 400.0 | nM | Inhibition constant against mammalian liver alcohol dehydrogenase (ADH) | CHEMBL1127319 | |
| NAs.002385 | 4 | all-match | Glutamate dehydrogenase | |
Ki | = | 3400.0 | nM | Inhibition constant against mammalian glutamate dehydrogenase (GDH) | CHEMBL1127319 | |
| NAs.002385 | 4 | all-match | Choline acetylase | |
Ki | None | None | nM | Compound was tested for inhibition of choline acetyltransferase isolated from squid head ganglia; No inhibition at 10e-4 M | CHEMBL1121773 | |
| NAs.002385 | 4 | all-match | Estradiol 17-beta-dehydrogenase 1 | |
Other | = | 0.025 | min-1 | Tested by protection experiments to demonstrate the inactivation of estradiol dehydrogenase and the kinetic parameter Kapp was reported at a concentration of 20 uM | CHEMBL1125169 | |
| NAs.002385 | 4 | all-match | Inosine-5'-monophosphate dehydrogenase 2 | |
Other | = | 120.0 | uM | Inhibitory binding constant was determined against human Inosine-5'-monophosphate dehydrogenase 2 (IMPDH type II) from intercept of Michaelis-Menten plot | CHEMBL1128279 | |
| NAs.002385 | 4 | all-match | Inosine-5'-monophosphate dehydrogenase 2 | |
Other | = | 175.0 | uM | Inhibitory binding constant was determined against human Inosine-5'-monophosphate dehydrogenase 2 (IMPDH type II) from slope of Michaelis-Menten plot | CHEMBL1128279 | |
| NAs.002385 | 4 | all-match | Ketopantoate reductase | |
Other | = | 750000.0 | nM | Inhibition of Escherichia coli KPR | CHEMBL1145346 | |