Assay Detail
Binding
CHEMBL857173
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibitory activity against HIV-1 Integrase (HIV-1-IN)
47
Total Activities
47
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Human immunodeficiency virus 1 |
| Confidence | 9 — Direct single protein target |
| Curated By | Expert |
Target
Human immunodeficiency virus type 1 integrase (CHEMBL3471) ↗| Type | SINGLE PROTEIN |
| Organism | Human immunodeficiency virus 1 |
Publication
CoMFA and CoMSIA 3D QSAR and docking studies on conformationally-restrained cinnamoyl HIV-1 integrase inhibitors: exploration of a binding mode at the active site.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 47 | 4.80 | 6.70 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL130911 | — | — | 1 | 6.70 |
| CHEMBL419981 | — | — | 1 | 6.70 |
| CHEMBL1161516 | — | — | 1 | 6.70 |
| CHEMBL129073 | — | — | 1 | 6.22 |
| CHEMBL129964 | — | — | 1 | 6.15 |
| CHEMBL339815 | — | — | 1 | 6.10 |
| CHEMBL129148 | — | — | 1 | 6.05 |
| CHEMBL276080 | — | — | 1 | 6.00 |
| CHEMBL341135 | — | — | 1 | 5.89 |
| CHEMBL131733 | — | — | 1 | 5.70 |
| CHEMBL132058 | — | — | 1 | 5.70 |
| CHEMBL129510 | — | — | 1 | 5.64 |
| CHEMBL83598 | — | — | 1 | 5.52 |
| CHEMBL319244 | CAFFEIC ACID PHENETHYL ESTER | — | 1 | 5.15 |
| CHEMBL131982 | — | — | 1 | 5.10 |
| CHEMBL353069 | — | — | 1 | 5.10 |
| CHEMBL133714 | BENZYL CAFFEATE | — | 1 | 5.05 |
| CHEMBL168284 | — | — | 1 | 4.85 |
| CHEMBL133491 | — | — | 1 | 4.82 |
| CHEMBL132238 | — | — | 1 | 4.74 |
| CHEMBL128000 | BUTEIN | — | 1 | 4.70 |
| CHEMBL140 | CURCUMIN | 3.0 | 1 | 4.52 |
| CHEMBL340202 | — | — | 1 | 4.52 |
| CHEMBL128729 | — | — | 1 | 4.43 |
| CHEMBL49350 | — | — | 1 | 4.40 |
| CHEMBL133492 | — | — | 1 | 4.36 |
| CHEMBL131749 | — | — | 1 | 4.26 |
| CHEMBL131680 | — | — | 1 | 4.22 |
| CHEMBL131689 | — | — | 1 | 4.17 |
| CHEMBL48436 | — | — | 1 | 4.12 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL130911 | — | IC50 | = | 199.53 | nM | 6.70 |
| CHEMBL1161516 | — | IC50 | = | 199.53 | nM | 6.70 |
| CHEMBL419981 | — | IC50 | = | 199.53 | nM | 6.70 |
| CHEMBL129073 | — | IC50 | = | 602.56 | nM | 6.22 |
| CHEMBL129964 | — | IC50 | = | 707.95 | nM | 6.15 |
| CHEMBL339815 | — | IC50 | = | 794.33 | nM | 6.10 |
| CHEMBL129148 | — | IC50 | = | 891.25 | nM | 6.05 |
| CHEMBL276080 | — | IC50 | = | 1000.0 | nM | 6.00 |
| CHEMBL341135 | — | IC50 | = | 1288.25 | nM | 5.89 |
| CHEMBL131733 | — | IC50 | = | 1995.26 | nM | 5.70 |
| CHEMBL132058 | — | IC50 | = | 1995.26 | nM | 5.70 |
| CHEMBL129510 | — | IC50 | = | 2290.87 | nM | 5.64 |
| CHEMBL83598 | — | IC50 | = | 3019.95 | nM | 5.52 |
| CHEMBL319244 | CAFFEIC ACID PHENETHYL ESTER | IC50 | = | 7079.46 | nM | 5.15 |
| CHEMBL353069 | — | IC50 | = | 7943.28 | nM | 5.10 |
| CHEMBL131982 | — | IC50 | = | 7943.28 | nM | 5.10 |
| CHEMBL133714 | BENZYL CAFFEATE | IC50 | = | 8912.51 | nM | 5.05 |
| CHEMBL168284 | — | IC50 | = | 14125.38 | nM | 4.85 |
| CHEMBL133491 | — | IC50 | = | 15135.61 | nM | 4.82 |
| CHEMBL132238 | — | IC50 | = | 18197.01 | nM | 4.74 |
| CHEMBL128000 | BUTEIN | IC50 | = | 19952.62 | nM | 4.70 |
| CHEMBL140 | CURCUMIN | IC50 | = | 30199.52 | nM | 4.52 |
| CHEMBL340202 | — | IC50 | = | 30199.52 | nM | 4.52 |
| CHEMBL128729 | — | IC50 | = | 37153.52 | nM | 4.43 |
| CHEMBL49350 | — | IC50 | = | 39810.72 | nM | 4.40 |
| CHEMBL133492 | — | IC50 | = | 43651.58 | nM | 4.36 |
| CHEMBL131749 | — | IC50 | = | 54954.09 | nM | 4.26 |
| CHEMBL131680 | — | IC50 | = | 60255.96 | nM | 4.22 |
| CHEMBL131689 | — | IC50 | = | 67608.3 | nM | 4.17 |
| CHEMBL48436 | — | IC50 | = | 75857.76 | nM | 4.12 |
| CHEMBL126625 | — | IC50 | = | 85113.8 | nM | 4.07 |
| CHEMBL337498 | — | IC50 | = | 100000.0 | nM | 4.00 |
| CHEMBL129795 | ISOLIQUIRITIGENIN | IC50 | = | 100000.0 | nM | 4.00 |
| CHEMBL17001 | METHYLCAFFEATE | IC50 | = | 100000.0 | nM | 4.00 |
| CHEMBL133642 | — | IC50 | = | 100000.0 | nM | 4.00 |
| CHEMBL170850 | — | IC50 | = | 100000.0 | nM | 4.00 |
| CHEMBL442022 | — | IC50 | = | 100000.0 | nM | 4.00 |
| CHEMBL17205 | CYCLOVALONE | IC50 | = | 100000.0 | nM | 4.00 |
| CHEMBL129913 | — | IC50 | = | 100000.0 | nM | 4.00 |
| CHEMBL128748 | DIMETHYLCURCUMIN | IC50 | = | 100000.0 | nM | 4.00 |
| CHEMBL17347 | ETHYL CAFFEATE | IC50 | = | 100000.0 | nM | 4.00 |
| CHEMBL296582 | — | IC50 | = | 100000.0 | nM | 4.00 |
| CHEMBL127028 | — | IC50 | = | 100000.0 | nM | 4.00 |
| CHEMBL423698 | — | IC50 | = | 100000.0 | nM | 4.00 |
| CHEMBL131678 | — | IC50 | = | 100000.0 | nM | 4.00 |
| CHEMBL129134 | — | IC50 | = | 100000.0 | nM | 4.00 |
| CHEMBL105350 | BISDEMETHOXYCURCUMIN | IC50 | = | 100000.0 | nM | 4.00 |