Assay Detail
Binding
CHEMBL802583
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Inhibition of HIV-1 reverse transcriptase at 37 degree Centigrade
20
Total Activities
20
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Expert |
Target
Human immunodeficiency virus type 1 reverse transcriptase (CHEMBL247) ↗| Type | SINGLE PROTEIN |
| Organism | Human immunodeficiency virus 1 |
Publication
Estimation of binding affinities for HEPT and nevirapine analogues with HIV-1 reverse transcriptase via Monte Carlo simulations.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 20 | 6.26 | 7.46 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL37628 | — | — | 1 | 7.46 |
| CHEMBL57 | NEVIRAPINE | 4.0 | 1 | 7.08 |
| CHEMBL37842 | — | — | 1 | 7.02 |
| CHEMBL39792 | — | — | 1 | 6.96 |
| CHEMBL37343 | — | — | 1 | 6.90 |
| CHEMBL288336 | — | — | 1 | 6.82 |
| CHEMBL288305 | — | — | 1 | 6.77 |
| CHEMBL291024 | — | — | 1 | 6.36 |
| CHEMBL289816 | — | — | 1 | 6.35 |
| CHEMBL290957 | — | — | 1 | 6.35 |
| CHEMBL39950 | — | — | 1 | 6.12 |
| CHEMBL290410 | — | — | 1 | 6.07 |
| CHEMBL291113 | — | — | 1 | 5.90 |
| CHEMBL289429 | — | — | 1 | 5.72 |
| CHEMBL37722 | — | — | 1 | 5.54 |
| CHEMBL39343 | — | — | 1 | 5.52 |
| CHEMBL39505 | — | — | 1 | 4.96 |
| CHEMBL290781 | — | — | 1 | 4.82 |
| CHEMBL289072 | — | — | 1 | - |
| CHEMBL291267 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL37628 | — | IC50 | = | 35.0 | nM | 7.46 |
| CHEMBL57 | NEVIRAPINE | IC50 | = | 84.0 | nM | 7.08 |
| CHEMBL37842 | — | IC50 | = | 95.0 | nM | 7.02 |
| CHEMBL39792 | — | IC50 | = | 110.0 | nM | 6.96 |
| CHEMBL37343 | — | IC50 | = | 125.0 | nM | 6.90 |
| CHEMBL288336 | — | IC50 | = | 150.0 | nM | 6.82 |
| CHEMBL288305 | — | IC50 | = | 170.0 | nM | 6.77 |
| CHEMBL291024 | — | IC50 | = | 440.0 | nM | 6.36 |
| CHEMBL289816 | — | IC50 | = | 450.0 | nM | 6.35 |
| CHEMBL290957 | — | IC50 | = | 450.0 | nM | 6.35 |
| CHEMBL39950 | — | IC50 | = | 760.0 | nM | 6.12 |
| CHEMBL290410 | — | IC50 | = | 850.0 | nM | 6.07 |
| CHEMBL291113 | — | IC50 | = | 1250.0 | nM | 5.90 |
| CHEMBL289429 | — | IC50 | = | 1900.0 | nM | 5.72 |
| CHEMBL37722 | — | IC50 | = | 2900.0 | nM | 5.54 |
| CHEMBL39343 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL39505 | — | IC50 | = | 11000.0 | nM | 4.96 |
| CHEMBL290781 | — | IC50 | = | 15300.0 | nM | 4.82 |
| CHEMBL289072 | — | IC50 | > | 1000.0 | nM | - |
| CHEMBL291267 | — | IC50 | > | 1000.0 | nM | - |