Compound ID |
Cluster
|
Compound Type
|
Target/Cell | Structure | Activity | Assay Description | Source | ||||
---|---|---|---|---|---|---|---|---|---|---|---|
Type
|
Relation
|
Value
|
Unit
|
||||||||
NAs.000099 | 2 | all-match | H9 | ![]() |
Other | = | 79.0 | % | Percentage of gag protein expression using H9 cells at 0 uM on 7th day | CHEMBL1124730 | |
NAs.000099 | 2 | all-match | ADMET | ![]() |
Other | = | 0.0 | % | Anti-HIV activity (% toxicity) in ATH-8 cells at 5 uM in absence of 2'-deoxycoformycin at 50 uM | CHEMBL1125695 | |
NAs.000099 | 2 | all-match | ADMET | ![]() |
Other | = | 84.0 | % | Anti-HIV activity (% protection) in ATH-8 cells at 5 uM in absence of 2'-deoxycoformycin at 50 uM | CHEMBL1125695 | |
NAs.000099 | 2 | all-match | ADMET | ![]() |
Other | = | 0.0 | % | Anti-HIV activity (% toxicity) in ATH-8 cells at 5 uM in absence of 2'-deoxycoformycin at 20 uM | CHEMBL1125695 | |
NAs.000099 | 2 | all-match | ADMET | ![]() |
Other | = | 70.0 | % | Anti-HIV activity (% protection) in ATH-8 cells at 5 uM in absence of 2'-deoxycoformycin at 20 uM | CHEMBL1125695 | |
NAs.000099 | 2 | all-match | ADMET | ![]() |
Other | = | 0.0 | % | Anti-HIV activity (% toxicity) in ATH-8 cells at 5 uM in absence of 2'-deoxycoformycin at 0 uM | CHEMBL1125695 | |
NAs.000099 | 2 | all-match | ADMET | ![]() |
Other | = | 0.0 | % | Anti-HIV activity (% protection) in ATH-8 cells at 5 uM in absence of 2'-deoxycoformycin at 0 uM | CHEMBL1125695 | |
NAs.000099 | 2 | all-match | ADMET | ![]() |
Other | = | 6.0 | None | Kinetic parameter relative rate measured at 50 uM at pH 7.4 and 37 degree Centigrade | CHEMBL1125695 | |
NAs.000099 | 2 | all-match | ADMET | ![]() |
Other | = | 0.23 | None | Kinetic parameter Vmax at pH 7.4 and 37 degree Centigrade | CHEMBL1125695 | |
NAs.000099 | 2 | all-match | ADMET | ![]() |
Other | = | 0.00033 | None | Kinetic parameter KM at pH 7.4 and 37 degree Centigrade | CHEMBL1125695 | |
NAs.000099 | 2 | all-match | No relevant target | ![]() |
Other | = | -0.18 | None | Partition coefficient (logP) | CHEMBL1125695 | |
NAs.000099 | 2 | all-match | Unchecked | ![]() |
Other | > | 18.0 | None | Selectivity ratio CD50 to ED50 | CHEMBL1123895 | |
NAs.000099 | 2 | all-match | MT4 | ![]() |
Other | = | 35.0 | uM | Anti-HIV activity was determined as dose required to protect 50% of the HIV-infected MT-4 cells against destruction | CHEMBL1123895 | |
NAs.000099 | 2 | all-match | MT4 | ![]() |
Other | > | 625.0 | uM | Cytotoxicity was determined as the dose required to reduce the viability of uninfected MT-4 cells by 50% | CHEMBL1123895 | |
NAs.000099 | 2 | all-match | Homo sapiens | ![]() |
IC50 | > | 200000.0 | nM | Cytotoxicity in 2.2.15 cells | CHEMBL1151095 | |
NAs.000099 | 2 | all-match | Vero | ![]() |
IC50 | > | 100000.0 | nM | Cytotoxicity in Vero cells | CHEMBL1151095 | |
NAs.000099 | 2 | all-match | ADMET | ![]() |
Other | = | 0.0 | % | Anti-HIV activity (% protection) in ATH-8 cells at 5 uM in presence of 2'-deoxycoformycin at 0 uM | CHEMBL1125695 | |
NAs.000099 | 2 | all-match | ADMET | ![]() |
Other | = | 11.0 | % | Anti-HIV activity (% toxicity) in ATH-8 cells at 5 uM in presence of 2'-deoxycoformycin at 0 uM | CHEMBL1125695 | |
NAs.000099 | 2 | all-match | ADMET | ![]() |
Other | = | 68.0 | % | Anti-HIV activity (% protection) in ATH-8 cells at 5 uM in presence of 2'-deoxycoformycin at 20 uM | CHEMBL1125695 | |
NAs.000099 | 2 | all-match | ADMET | ![]() |
Other | = | 17.0 | % | Anti-HIV activity (% toxicity) in ATH-8 cells at 5 uM in presence of 2'-deoxycoformycin at 20 uM | CHEMBL1125695 | |
NAs.000099 | 2 | all-match | Human immunodeficiency virus 1 | ![]() |
EC50 | = | 4400.0 | nM | Antiviral activity against HIV1 infected in human PBM cells assessed as inhibition of viral replication | CHEMBL3632481 | |
NAs.000099 | 2 | all-match | ADMET | ![]() |
Other | > | 17.0 | None | Therapeutic index, ratio of cytotoxicity against human H9 cells to EC50 for HIV1 RF | CHEMBL1137804 | |
NAs.000099 | 2 | all-match | ADMET | ![]() |
Other | > | 17.0 | None | Therapeutic index, ratio of cytotoxicity against human H9 cells to EC50 for HIV1 3B | CHEMBL1137804 | |
NAs.000099 | 2 | all-match | Human immunodeficiency virus 1 | ![]() |
EC50 | = | 1160.0 | nM | Antiviral activity against HIV1 RF in human H9 cells assessed as inhibition of virus-induced cytopathic effect by formazan-based conventional colorimetric technique | CHEMBL1137804 | |
NAs.000099 | 2 | all-match | Human immunodeficiency virus 1 | ![]() |
EC50 | = | 1160.0 | nM | Antiviral activity against HIV1 3B in human H9 cells assessed as inhibition of virus-induced cytopathic effect by formazan-based conventional colorimetric technique | CHEMBL1137804 | |
NAs.000099 | 2 | all-match | No relevant target | ![]() |
Other | = | -0.183 | None | Partition coefficient (logP) | CHEMBL1129582 | |
NAs.000099 | 2 | all-match | ADMET | ![]() |
IC50 | = | 3300.0 | nM | Anti-HIV activity by using phytohemagglutininin-stimulated peripheral blood mononuclear cell(PHA/PBM) test system | CHEMBL1129582 | |
NAs.000099 | 2 | all-match | CCRF-CEM | ![]() |
IC50 | > | 100000.0 | nM | Cytotoxicity in CEM cells | CHEMBL1151095 | |
NAs.000099 | 2 | all-match | Unchecked | ![]() |
Other | > | 6.8 | None | Selectivity index by CC50 of CEM cells/EC50 of CEM cells against HIV-1 | CHEMBL1132719 | |
NAs.000099 | 2 | all-match | CCRF-CEM | ![]() |
CC50 | > | 250000.0 | nM | Cytotoxic concentration in Wild Type CEM cells | CHEMBL1132719 | |
NAs.000099 | 2 | all-match | C3H/3T3 | ![]() |
EC50 | > | 50000.0 | nM | Effect of compound against Moloney murine sarcoma virus (MSV)-induced transformation of C3H/3T3 embryo murine fibroblasts | CHEMBL1132719 | |
NAs.000099 | 2 | all-match | CCRF-CEM | ![]() |
EC50 | = | 40000.0 | nM | Antiviral activity evaluated as the ability to inhibit the replication of HIV-2 in human T-lymphocytic cells (CEM) | CHEMBL1132719 | |
NAs.000099 | 2 | all-match | No relevant target | ![]() |
Other | = | -0.61 | None | Partition coefficient (logP) | CHEMBL1132719 | |
NAs.000099 | 2 | all-match | ADMET | ![]() |
Other | None | None | hr | Hydrolysis half life in phosphate buffer; Not available | CHEMBL1132719 | |
NAs.000099 | 2 | all-match | ADMET | ![]() |
Other | = | 54.0 | % | Anti-HIV activity (% toxicity) in ATH-8 cells at 5 uM in presence of 2'-deoxycoformycin at 50 uM | CHEMBL1125695 | |
NAs.000099 | 2 | all-match | ADMET | ![]() |
Other | = | 48.0 | % | Anti-HIV activity (% protection) in ATH-8 cells at 5 uM in presence of 2'-deoxycoformycin at 50 uM | CHEMBL1125695 | |
NAs.000099 | 2 | all-match | C3H/3T3 | ![]() |
Other | > | 50000.0 | nM | Minimal cytotoxic concentration required to cause morphological alteration of C3H/3T3 fibroblast culture cells | CHEMBL1132719 | |
NAs.000099 | 2 | all-match | ADMET | ![]() |
IC50 | > | 100000.0 | nM | Cytotoxicity in human peripheral blood mononuclear (PBM) cells | CHEMBL1151095 | |
NAs.000099 | 2 | all-match | CCRF-CEM | ![]() |
EC50 | = | 36700.0 | nM | Antiviral activity evaluated as the ability to inhibit the replication of HIV-1 in human T-lymphocytic cells (CEM) | CHEMBL1132719 | |
NAs.000099 | 2 | all-match | ADMET | ![]() |
EC50 | = | 100000.0 | nM | In vitro anti-HIV activity was evaluated in human peripheral blood mononuclear (PBM) cells | CHEMBL1151095 | |
NAs.000099 | 2 | all-match | H9 | ![]() |
Other | = | 19.0 | % | Percentage of gag protein expression using H9 cells at 50 uM on 12th day | CHEMBL1124730 | |
NAs.000099 | 2 | all-match | H9 | ![]() |
Other | = | 53.0 | % | Percentage of gag protein expression using H9 cells at 20 uM on 12th day | CHEMBL1124730 | |
NAs.000099 | 2 | all-match | H9 | ![]() |
Other | = | 66.0 | % | Percentage of gag protein expression using H9 cells at 5 uM on 12th day | CHEMBL1124730 | |
NAs.000099 | 2 | all-match | H9 | ![]() |
Other | = | 79.0 | % | Percentage of gag protein expression using H9 cells at 0 uM on 12th day | CHEMBL1124730 | |
NAs.000099 | 2 | all-match | H9 | ![]() |
Other | = | 0.0 | % | Percentage of gag protein expression using H9 cells at 200 uM on 10th day | CHEMBL1124730 | |
NAs.000099 | 2 | all-match | H9 | ![]() |
Other | = | 34.0 | % | Percentage of gag protein expression using H9 cells at 100 uM on 10th day | CHEMBL1124730 | |
NAs.000099 | 2 | all-match | H9 | ![]() |
Other | = | 20.0 | % | Percentage of gag protein expression using H9 cells at 50 uM on 10th day | CHEMBL1124730 | |
NAs.000099 | 2 | all-match | H9 | ![]() |
Other | = | 37.0 | % | Percentage of gag protein expression using H9 cells at 20 uM on 10th day | CHEMBL1124730 | |
NAs.000099 | 2 | all-match | H9 | ![]() |
Other | = | 71.0 | % | Percentage of gag protein expression using H9 cells at 0 uM on 10th day | CHEMBL1124730 | |
NAs.000099 | 2 | all-match | H9 | ![]() |
Other | = | 0.0 | % | Percentage of gag protein expression using H9 cells at 200 uM on 7th day | CHEMBL1124730 |