Assay Detail
Functional
CHEMBL833971
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Concentration required to inhibit 50% viral production of human immunodeficiency virus type 1 (HIV-1-IIIB)
37
Total Activities
37
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Functional |
| Organism | Human immunodeficiency virus 1 |
| Confidence | 1 — Organism |
| Curated By | Expert |
Target
Human immunodeficiency virus 1 (CHEMBL378) ↗| Type | ORGANISM |
| Organism | Human immunodeficiency virus 1 |
Publication
Hierarchical database screenings for HIV-1 reverse transcriptase using a pharmacophore model, rigid docking, solvation docking, and MM-PB/SA.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 37 | 7.08 | 9.44 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL283619 | — | — | 1 | 9.44 |
| CHEMBL363433 | — | — | 1 | 9.40 |
| CHEMBL97347 | — | — | 1 | 8.57 |
| CHEMBL223228 | EFAVIRENZ | 4.0 | 1 | 8.53 |
| CHEMBL58711 | TIVIRAPINE | 2.0 | 1 | 8.52 |
| CHEMBL435128 | CAPRAVIRINE | 2.0 | 1 | 8.51 |
| CHEMBL436546 | — | — | 1 | 8.22 |
| CHEMBL132122 | — | — | 1 | 8.22 |
| CHEMBL35033 | EMIVIRINE | 2.0 | 1 | 8.10 |
| CHEMBL54893 | UC 781 | 1.0 | 1 | 8.05 |
| CHEMBL88677 | — | — | 1 | 8.00 |
| CHEMBL430623 | — | — | 1 | 7.80 |
| CHEMBL39999 | TROVIRDINE | 2.0 | 1 | 7.70 |
| CHEMBL283861 | — | — | 1 | 7.58 |
| CHEMBL440510 | — | — | 1 | 7.54 |
| CHEMBL296092 | TIBO | — | 1 | 7.48 |
| CHEMBL70329 | — | — | 1 | 7.48 |
| CHEMBL370313 | — | — | 1 | 7.39 |
| CHEMBL190729 | — | — | 1 | 7.38 |
| CHEMBL252137 | — | — | 1 | 7.30 |
| CHEMBL193073 | — | — | 1 | 7.30 |
| CHEMBL37624 | LOVIRIDE | 2.0 | 1 | 7.00 |
| CHEMBL192832 | — | — | 1 | 6.85 |
| CHEMBL42906 | — | — | 1 | 6.72 |
| CHEMBL57 | NEVIRAPINE | 4.0 | 1 | 6.70 |
| CHEMBL71927 | — | — | 1 | 6.40 |
| CHEMBL193567 | — | — | 1 | 6.38 |
| CHEMBL593 | DELAVIRDINE | 4.0 | 1 | 5.96 |
| CHEMBL33981 | — | — | 1 | 5.89 |
| CHEMBL192847 | — | — | 1 | 5.85 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL283619 | — | IC50 | = | 0.36 | nM | 9.44 |
| CHEMBL363433 | — | IC50 | = | 0.4 | nM | 9.40 |
| CHEMBL97347 | — | IC50 | = | 2.7 | nM | 8.57 |
| CHEMBL223228 | EFAVIRENZ | IC50 | = | 2.93 | nM | 8.53 |
| CHEMBL58711 | TIVIRAPINE | IC50 | = | 3.0 | nM | 8.52 |
| CHEMBL435128 | CAPRAVIRINE | IC50 | = | 3.1 | nM | 8.51 |
| CHEMBL436546 | — | IC50 | = | 6.0 | nM | 8.22 |
| CHEMBL132122 | — | IC50 | = | 6.0 | nM | 8.22 |
| CHEMBL35033 | EMIVIRINE | IC50 | = | 8.0 | nM | 8.10 |
| CHEMBL54893 | UC 781 | IC50 | = | 9.0 | nM | 8.05 |
| CHEMBL88677 | — | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL430623 | — | IC50 | = | 16.0 | nM | 7.80 |
| CHEMBL39999 | TROVIRDINE | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL283861 | — | IC50 | = | 26.0 | nM | 7.58 |
| CHEMBL440510 | — | IC50 | = | 29.0 | nM | 7.54 |
| CHEMBL296092 | TIBO | IC50 | = | 33.0 | nM | 7.48 |
| CHEMBL70329 | — | IC50 | = | 33.0 | nM | 7.48 |
| CHEMBL370313 | — | IC50 | = | 41.0 | nM | 7.39 |
| CHEMBL190729 | — | IC50 | = | 42.0 | nM | 7.38 |
| CHEMBL193073 | — | IC50 | = | 50.0 | nM | 7.30 |
| CHEMBL252137 | — | IC50 | = | 50.0 | nM | 7.30 |
| CHEMBL37624 | LOVIRIDE | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL192832 | — | IC50 | = | 142.0 | nM | 6.85 |
| CHEMBL42906 | — | IC50 | = | 190.0 | nM | 6.72 |
| CHEMBL57 | NEVIRAPINE | IC50 | = | 200.0 | nM | 6.70 |
| CHEMBL71927 | — | IC50 | = | 400.0 | nM | 6.40 |
| CHEMBL193567 | — | IC50 | = | 420.0 | nM | 6.38 |
| CHEMBL593 | DELAVIRDINE | IC50 | = | 1100.0 | nM | 5.96 |
| CHEMBL33981 | — | IC50 | = | 1300.0 | nM | 5.89 |
| CHEMBL192847 | — | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL32457 | — | IC50 | = | 1600.0 | nM | 5.80 |
| CHEMBL435495 | — | IC50 | = | 4700.0 | nM | 5.33 |
| CHEMBL275938 | AURINTRICARBOXYLIC ACID | IC50 | = | 5000.0 | nM | 5.30 |
| CHEMBL31871 | HEPT | IC50 | = | 7000.0 | nM | 5.16 |
| CHEMBL189328 | — | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL58542 | — | IC50 | = | 16000.0 | nM | 4.80 |
| CHEMBL348795 | — | IC50 | = | 62000.0 | nM | 4.21 |