Assay Detail
Binding
CHEMBL3820114
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Inhibition of ATP synthase in Mycobacterium smegmatis inverted membrane vesicles assessed as reduction in oxidative phosphorylation of ADP incubated for 60 mins in presence of NADH by luciferin/luciferase coupled reporter gene assay
23
Total Activities
23
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Mycolicibacterium smegmatis |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Scaffold morphing leading to evolution of 2,4-diaminoquinolines and aminopyrazolopyrimidines as inhibitors of the ATP synthesis pathway
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 23 | 6.38 | 8.30 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL376488 | BEDAQUILINE | 4.0 | 1 | 8.30 |
| CHEMBL3819336 | — | — | 1 | 7.40 |
| CHEMBL3818021 | — | — | 1 | 7.22 |
| CHEMBL3819273 | — | — | 1 | 7.22 |
| CHEMBL3818461 | — | — | 1 | 7.00 |
| CHEMBL3819419 | — | — | 1 | 7.00 |
| CHEMBL3819455 | — | — | 1 | 7.00 |
| CHEMBL3818001 | — | — | 1 | 7.00 |
| CHEMBL3818964 | — | — | 1 | 7.00 |
| CHEMBL3818425 | — | — | 1 | 7.00 |
| CHEMBL3819381 | — | — | 1 | 6.40 |
| CHEMBL3817907 | — | — | 1 | 6.35 |
| CHEMBL3818181 | — | — | 1 | 6.30 |
| CHEMBL3819212 | — | — | 1 | 6.22 |
| CHEMBL3819568 | — | — | 1 | 6.10 |
| CHEMBL3819365 | — | — | 1 | 6.05 |
| CHEMBL3819462 | — | — | 1 | 5.77 |
| CHEMBL1449930 | — | — | 1 | 5.68 |
| CHEMBL1498173 | — | — | 1 | 5.60 |
| CHEMBL3818431 | — | — | 1 | 5.43 |
| CHEMBL224214 | CARBONYL CYANIDE M-CHLOROPHENYLHYDRAZONE | — | 1 | 5.32 |
| CHEMBL3818865 | — | — | 1 | 4.68 |
| CHEMBL3819498 | — | — | 1 | 4.60 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL376488 | BEDAQUILINE | IC50 | = | 5.0 | nM | 8.30 |
| CHEMBL3819336 | — | IC50 | = | 40.0 | nM | 7.40 |
| CHEMBL3818021 | — | IC50 | = | 60.0 | nM | 7.22 |
| CHEMBL3819273 | — | IC50 | = | 60.0 | nM | 7.22 |
| CHEMBL3818461 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL3819419 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL3819455 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL3818001 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL3818964 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL3818425 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL3819381 | — | IC50 | = | 400.0 | nM | 6.40 |
| CHEMBL3817907 | — | IC50 | = | 450.0 | nM | 6.35 |
| CHEMBL3818181 | — | IC50 | = | 500.0 | nM | 6.30 |
| CHEMBL3819212 | — | IC50 | = | 600.0 | nM | 6.22 |
| CHEMBL3819568 | — | IC50 | = | 800.0 | nM | 6.10 |
| CHEMBL3819365 | — | IC50 | = | 900.0 | nM | 6.05 |
| CHEMBL3819462 | — | IC50 | = | 1700.0 | nM | 5.77 |
| CHEMBL1449930 | — | IC50 | = | 2100.0 | nM | 5.68 |
| CHEMBL1498173 | — | IC50 | = | 2500.0 | nM | 5.60 |
| CHEMBL3818431 | — | IC50 | = | 3700.0 | nM | 5.43 |
| CHEMBL224214 | CARBONYL CYANIDE M-CHLOROPHENYLHYDRAZONE | IC50 | = | 4800.0 | nM | 5.32 |
| CHEMBL3818865 | — | IC50 | = | 21000.0 | nM | 4.68 |
| CHEMBL3819498 | — | IC50 | = | 25000.0 | nM | 4.60 |