Assay Detail
Binding
CHEMBL4771034
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Inhibition of Mycobacterium tuberculosis His6-tagged MabA expressed in Escherichia coli BL21 (DE3) assessed as reduction in HBCoA formation using AcAcCoA as substrate preincubated for 30 mins followed by substrate and 100 uM NADPH addition and measured after 15 mins by LC-MS/MS analysis
37
Total Activities
37
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Mycobacterium tuberculosis |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Discovery of the first Mycobacterium tuberculosis MabA (FabG1) inhibitors through a fragment-based screening.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 37 | 4.02 | 4.60 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4799633 | — | — | 1 | 4.60 |
| CHEMBL4800208 | — | — | 1 | 4.42 |
| CHEMBL1453095 | — | — | 1 | 4.40 |
| CHEMBL4795245 | — | — | 1 | 4.40 |
| CHEMBL479006 | — | — | 1 | 4.28 |
| CHEMBL4786178 | — | — | 1 | 4.23 |
| CHEMBL4794332 | — | — | 1 | 4.19 |
| CHEMBL4779906 | — | — | 1 | 4.16 |
| CHEMBL4780207 | — | — | 1 | 4.16 |
| CHEMBL115897 | — | — | 1 | 4.14 |
| CHEMBL4777789 | — | — | 1 | 4.08 |
| CHEMBL4782547 | — | — | 1 | 4.04 |
| CHEMBL4783850 | — | — | 1 | 4.02 |
| CHEMBL507614 | — | — | 1 | 3.73 |
| CHEMBL4778915 | — | — | 1 | 3.71 |
| CHEMBL4777094 | — | — | 1 | 3.61 |
| CHEMBL4799804 | — | — | 1 | 3.51 |
| CHEMBL4792568 | — | — | 1 | 3.33 |
| CHEMBL4775986 | — | — | 1 | 3.33 |
| CHEMBL4780954 | — | — | 1 | - |
| CHEMBL4783526 | — | — | 1 | - |
| CHEMBL4793201 | — | — | 1 | - |
| CHEMBL4799784 | — | — | 1 | - |
| CHEMBL4787533 | — | — | 1 | - |
| CHEMBL4780029 | — | — | 1 | - |
| CHEMBL4797728 | — | — | 1 | - |
| CHEMBL4784825 | — | — | 1 | - |
| CHEMBL4780931 | — | — | 1 | - |
| CHEMBL4793595 | — | — | 1 | - |
| CHEMBL4784612 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4799633 | — | IC50 | = | 25000.0 | nM | 4.60 |
| CHEMBL4800208 | — | IC50 | = | 38000.0 | nM | 4.42 |
| CHEMBL1453095 | — | IC50 | = | 40000.0 | nM | 4.40 |
| CHEMBL4795245 | — | IC50 | = | 40000.0 | nM | 4.40 |
| CHEMBL479006 | — | IC50 | = | 53000.0 | nM | 4.28 |
| CHEMBL4786178 | — | IC50 | = | 59000.0 | nM | 4.23 |
| CHEMBL4794332 | — | IC50 | = | 65000.0 | nM | 4.19 |
| CHEMBL4779906 | — | IC50 | = | 70000.0 | nM | 4.16 |
| CHEMBL4780207 | — | IC50 | = | 69000.0 | nM | 4.16 |
| CHEMBL115897 | — | IC50 | = | 72000.0 | nM | 4.14 |
| CHEMBL4777789 | — | IC50 | = | 84000.0 | nM | 4.08 |
| CHEMBL4782547 | — | IC50 | = | 92000.0 | nM | 4.04 |
| CHEMBL4783850 | — | IC50 | = | 95000.0 | nM | 4.02 |
| CHEMBL507614 | — | IC50 | = | 185000.0 | nM | 3.73 |
| CHEMBL4778915 | — | IC50 | = | 194000.0 | nM | 3.71 |
| CHEMBL4777094 | — | IC50 | = | 243000.0 | nM | 3.61 |
| CHEMBL4799804 | — | IC50 | = | 310000.0 | nM | 3.51 |
| CHEMBL4775986 | — | IC50 | = | 470000.0 | nM | 3.33 |
| CHEMBL4792568 | — | IC50 | = | 470000.0 | nM | 3.33 |
| CHEMBL4780931 | — | IC50 | = | 295000.0 | nM | - |
| CHEMBL4794188 | — | IC50 | > | 1000000.0 | nM | - |
| CHEMBL4783340 | — | IC50 | > | 500000.0 | nM | - |
| CHEMBL4783055 | — | IC50 | > | 1000000.0 | nM | - |
| CHEMBL4779882 | — | IC50 | = | 310000.0 | nM | - |
| CHEMBL4777830 | — | IC50 | > | 500000.0 | nM | - |
| CHEMBL4791943 | — | IC50 | = | 1000000.0 | nM | - |
| CHEMBL4794016 | — | IC50 | > | 1000000.0 | nM | - |
| CHEMBL4784612 | — | IC50 | = | 145000.0 | nM | - |
| CHEMBL4793595 | — | IC50 | > | 500000.0 | nM | - |
| CHEMBL4784825 | — | IC50 | = | 186000.0 | nM | - |
| CHEMBL4797728 | — | IC50 | = | 280000.0 | nM | - |
| CHEMBL4780029 | — | IC50 | = | 109000.0 | nM | - |
| CHEMBL4787533 | — | IC50 | > | 500000.0 | nM | - |
| CHEMBL4799784 | — | IC50 | = | 147000.0 | nM | - |
| CHEMBL4793201 | — | IC50 | > | 400000.0 | nM | - |
| CHEMBL4783526 | — | IC50 | = | 126000.0 | nM | - |
| CHEMBL4780954 | — | IC50 | = | 140000.0 | nM | - |