Assay Detail
Binding
CHEMBL3866221
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Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as inorganic phosphate release after 120 mins in presence of ATP by malachite green dye based assay
49
Total Activities
49
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Mycolicibacterium smegmatis MC2 155 |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
DNA gyrase subunit B (CHEMBL6059) ↗| Type | SINGLE PROTEIN |
| Organism | Mycobacterium smegmatis (strain ATCC 700084 / mc(2)155) |
Publication
Engineering another class of anti-tubercular lead: Hit to lead optimization of an intriguing class of gyrase ATPase inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 49 | 4.91 | 7.34 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL36506 | NOVOBIOCIN | 4.0 | 1 | 7.34 |
| CHEMBL3949206 | — | — | 1 | 5.60 |
| CHEMBL3941457 | — | — | 1 | 5.51 |
| CHEMBL3978320 | — | — | 1 | 5.38 |
| CHEMBL144307 | — | — | 1 | 5.26 |
| CHEMBL3898197 | — | — | 1 | 5.21 |
| CHEMBL3957846 | — | — | 1 | 5.17 |
| CHEMBL3977363 | — | — | 1 | 5.12 |
| CHEMBL3968705 | — | — | 1 | 5.12 |
| CHEMBL3967142 | — | — | 1 | 5.08 |
| CHEMBL3957660 | — | — | 1 | 5.07 |
| CHEMBL3895213 | — | — | 1 | 5.04 |
| CHEMBL3916010 | — | — | 1 | 5.04 |
| CHEMBL3921744 | — | — | 1 | 5.02 |
| CHEMBL1822275 | — | — | 1 | 5.00 |
| CHEMBL3893738 | — | — | 1 | 4.99 |
| CHEMBL3923417 | — | — | 1 | 4.99 |
| CHEMBL3986544 | — | — | 1 | 4.97 |
| CHEMBL3963549 | — | — | 1 | 4.96 |
| CHEMBL3921436 | — | — | 1 | 4.96 |
| CHEMBL3917318 | — | — | 1 | 4.91 |
| CHEMBL3895429 | — | — | 1 | 4.87 |
| CHEMBL3967891 | — | — | 1 | 4.86 |
| CHEMBL3955005 | — | — | 1 | 4.85 |
| CHEMBL3977204 | — | — | 1 | 4.84 |
| CHEMBL3985287 | — | — | 1 | 4.83 |
| CHEMBL3897352 | — | — | 1 | 4.80 |
| CHEMBL3947940 | — | — | 1 | 4.79 |
| CHEMBL3939165 | — | — | 1 | 4.79 |
| CHEMBL3937440 | — | — | 1 | 4.77 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL36506 | NOVOBIOCIN | IC50 | = | 46.0 | nM | 7.34 |
| CHEMBL3949206 | — | IC50 | = | 2500.0 | nM | 5.60 |
| CHEMBL3941457 | — | IC50 | = | 3100.0 | nM | 5.51 |
| CHEMBL3978320 | — | IC50 | = | 4120.0 | nM | 5.38 |
| CHEMBL144307 | — | IC50 | = | 5500.0 | nM | 5.26 |
| CHEMBL3898197 | — | IC50 | = | 6100.0 | nM | 5.21 |
| CHEMBL3957846 | — | IC50 | = | 6800.0 | nM | 5.17 |
| CHEMBL3977363 | — | IC50 | = | 7600.0 | nM | 5.12 |
| CHEMBL3968705 | — | IC50 | = | 7600.0 | nM | 5.12 |
| CHEMBL3967142 | — | IC50 | = | 8300.0 | nM | 5.08 |
| CHEMBL3957660 | — | IC50 | = | 8530.0 | nM | 5.07 |
| CHEMBL3895213 | — | IC50 | = | 9100.0 | nM | 5.04 |
| CHEMBL3916010 | — | IC50 | = | 9200.0 | nM | 5.04 |
| CHEMBL3921744 | — | IC50 | = | 9600.0 | nM | 5.02 |
| CHEMBL1822275 | — | IC50 | = | 9900.0 | nM | 5.00 |
| CHEMBL3893738 | — | IC50 | = | 10300.0 | nM | 4.99 |
| CHEMBL3923417 | — | IC50 | = | 10300.0 | nM | 4.99 |
| CHEMBL3986544 | — | IC50 | = | 10700.0 | nM | 4.97 |
| CHEMBL3963549 | — | IC50 | = | 11000.0 | nM | 4.96 |
| CHEMBL3921436 | — | IC50 | = | 11000.0 | nM | 4.96 |
| CHEMBL3917318 | — | IC50 | = | 12200.0 | nM | 4.91 |
| CHEMBL3895429 | — | IC50 | = | 13600.0 | nM | 4.87 |
| CHEMBL3967891 | — | IC50 | = | 13800.0 | nM | 4.86 |
| CHEMBL3955005 | — | IC50 | = | 14200.0 | nM | 4.85 |
| CHEMBL3977204 | — | IC50 | = | 14600.0 | nM | 4.84 |
| CHEMBL3985287 | — | IC50 | = | 14800.0 | nM | 4.83 |
| CHEMBL3897352 | — | IC50 | = | 16000.0 | nM | 4.80 |
| CHEMBL3947940 | — | IC50 | = | 16200.0 | nM | 4.79 |
| CHEMBL3939165 | — | IC50 | = | 16100.0 | nM | 4.79 |
| CHEMBL3937440 | — | IC50 | = | 16900.0 | nM | 4.77 |
| CHEMBL3969397 | — | IC50 | = | 18800.0 | nM | 4.73 |
| CHEMBL3943969 | — | IC50 | = | 21100.0 | nM | 4.68 |
| CHEMBL3963885 | — | IC50 | = | 23800.0 | nM | 4.62 |
| CHEMBL3935298 | — | IC50 | = | 24300.0 | nM | 4.61 |
| CHEMBL3906720 | — | IC50 | = | 27000.0 | nM | 4.57 |
| CHEMBL3912093 | — | IC50 | = | 30400.0 | nM | 4.52 |
| CHEMBL3930157 | — | IC50 | = | 31300.0 | nM | 4.50 |
| CHEMBL3966158 | — | IC50 | = | 32600.0 | nM | 4.49 |
| CHEMBL3956599 | — | IC50 | = | 33100.0 | nM | 4.48 |
| CHEMBL3933913 | — | IC50 | = | 40600.0 | nM | 4.39 |
| CHEMBL3961399 | — | IC50 | = | 40400.0 | nM | 4.39 |
| CHEMBL3952721 | — | IC50 | = | 43900.0 | nM | 4.36 |
| CHEMBL3925015 | — | IC50 | = | 45300.0 | nM | 4.34 |
| CHEMBL3940083 | — | IC50 | = | 51600.0 | nM | 4.29 |
| CHEMBL374478 | RIFAMPIN | IC50 | - | — | - | |
| CHEMBL4 | OFLOXACIN | IC50 | - | — | - | |
| CHEMBL64 | ISONIAZID | IC50 | - | — | - | |
| CHEMBL3943840 | — | IC50 | > | 75000.0 | nM | - |
| CHEMBL3948859 | — | IC50 | > | 75000.0 | nM | - |