Assay Detail
Binding
CHEMBL3637358
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Inhibition of Mycobacterium tuberculosis MTCC 300 DAH7PS expressed in Escherichia coli BL21 (DE3) using 25 to 125 uM PEP/100 uM E4P as substrate by spectrophotometric analysis
9
Total Activities
6
Compounds Tested
2
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Mycobacterium tuberculosis |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Inhibition of 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis: in silico screening and in vitro validation.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 6 | 4.56 | 4.89 |
| Inhibition | 3 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL925 | TYROSINE | 4.0 | 1 | 4.89 |
| CHEMBL47 | ALPHA-TOCOPHEROL | — | 2 | 4.68 |
| CHEMBL226335 | RUTIN | 3.0 | 2 | 4.38 |
| CHEMBL268493 | NICOTINALDEHYDE | — | 2 | 4.27 |
| CHEMBL284616 | CHLOROGENIC ACID | 2.0 | 1 | - |
| CHEMBL519878 | NEGUNDOSIDE | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL925 | TYROSINE | IC50 | = | 13000.0 | nM | 4.89 |
| CHEMBL47 | ALPHA-TOCOPHEROL | IC50 | = | 21000.0 | nM | 4.68 |
| CHEMBL226335 | RUTIN | IC50 | = | 42000.0 | nM | 4.38 |
| CHEMBL268493 | NICOTINALDEHYDE | IC50 | = | 54000.0 | nM | 4.27 |
| CHEMBL268493 | NICOTINALDEHYDE | Inhibition | - | % | - | |
| CHEMBL226335 | RUTIN | Inhibition | - | % | - | |
| CHEMBL47 | ALPHA-TOCOPHEROL | Inhibition | - | % | - | |
| CHEMBL284616 | CHLOROGENIC ACID | IC50 | = | 291000.0 | nM | - |
| CHEMBL519878 | NEGUNDOSIDE | IC50 | = | 159000.0 | nM | - |