Assay Detail
Binding
CHEMBL882864
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Inhibition constant against plasmepsin-2 of Plasmodium falciparum 10 min using 3 uM of DABCYL-Glu-Arg-Nle-Phe-Le u-Ser-Phe-Pro-EDANS as substrate
25
Total Activities
25
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Plasmodium falciparum |
| Confidence | 9 — Direct single protein target |
| Curated By | Expert |
Publication
Synthesis of malarial plasmepsin inhibitors and prediction of binding modes by molecular dynamics simulations.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 25 | 6.76 | 8.22 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL370424 | — | — | 1 | 8.22 |
| CHEMBL435119 | — | — | 1 | 8.15 |
| CHEMBL370422 | — | — | 1 | 8.00 |
| CHEMBL372618 | — | — | 1 | 7.96 |
| CHEMBL196614 | — | — | 1 | 7.85 |
| CHEMBL366393 | — | — | 1 | 7.33 |
| CHEMBL177718 | — | — | 1 | 7.02 |
| CHEMBL371256 | — | — | 1 | 6.85 |
| CHEMBL371522 | — | — | 1 | 6.84 |
| CHEMBL196062 | — | — | 1 | 6.79 |
| CHEMBL196165 | — | — | 1 | 6.78 |
| CHEMBL382274 | — | — | 1 | 6.45 |
| CHEMBL196696 | — | — | 1 | 6.23 |
| CHEMBL197463 | — | — | 1 | 5.89 |
| CHEMBL410049 | — | — | 1 | 5.82 |
| CHEMBL196265 | — | — | 1 | 5.68 |
| CHEMBL194415 | — | — | 1 | 5.64 |
| CHEMBL426999 | — | — | 1 | 5.54 |
| CHEMBL381027 | — | — | 1 | 5.47 |
| CHEMBL198356 | — | — | 1 | - |
| CHEMBL198767 | — | — | 1 | - |
| CHEMBL373047 | — | — | 1 | - |
| CHEMBL197834 | — | — | 1 | - |
| CHEMBL195004 | — | — | 1 | - |
| CHEMBL198165 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL370424 | — | Ki | = | 6.0 | nM | 8.22 |
| CHEMBL435119 | — | Ki | = | 7.0 | nM | 8.15 |
| CHEMBL370422 | — | Ki | = | 10.0 | nM | 8.00 |
| CHEMBL372618 | — | Ki | = | 11.0 | nM | 7.96 |
| CHEMBL196614 | — | Ki | = | 14.0 | nM | 7.85 |
| CHEMBL366393 | — | Ki | = | 47.0 | nM | 7.33 |
| CHEMBL177718 | — | Ki | = | 96.0 | nM | 7.02 |
| CHEMBL371256 | — | Ki | = | 142.0 | nM | 6.85 |
| CHEMBL371522 | — | Ki | = | 145.0 | nM | 6.84 |
| CHEMBL196062 | — | Ki | = | 161.0 | nM | 6.79 |
| CHEMBL196165 | — | Ki | = | 168.0 | nM | 6.78 |
| CHEMBL382274 | — | Ki | = | 359.0 | nM | 6.45 |
| CHEMBL196696 | — | Ki | = | 586.0 | nM | 6.23 |
| CHEMBL197463 | — | Ki | = | 1300.0 | nM | 5.89 |
| CHEMBL410049 | — | Ki | = | 1500.0 | nM | 5.82 |
| CHEMBL196265 | — | Ki | = | 2100.0 | nM | 5.68 |
| CHEMBL194415 | — | Ki | = | 2300.0 | nM | 5.64 |
| CHEMBL426999 | — | Ki | = | 2900.0 | nM | 5.54 |
| CHEMBL381027 | — | Ki | = | 3400.0 | nM | 5.47 |
| CHEMBL198356 | — | Ki | > | 5000.0 | nM | - |
| CHEMBL198767 | — | Ki | > | 5000.0 | nM | - |
| CHEMBL373047 | — | Ki | > | 5000.0 | nM | - |
| CHEMBL197834 | — | Ki | > | 5000.0 | nM | - |
| CHEMBL195004 | — | Ki | > | 5000.0 | nM | - |
| CHEMBL198165 | — | Ki | > | 5000.0 | nM | - |