Compound Detail
CHEMBL140740
M(DANSYLAMIDOPHENYL)BORONIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL140740 |
| Name | M(DANSYLAMIDOPHENYL)BORONIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYXMKSYBCDTGDU-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
370.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.3
Ki 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase CHEMBL2026 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
| Beta-lactamase CHEMBL2026 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase | Ki | = | 1300.0 | nM | 5.89 | Inhibitory activity against Escherichia coli AmpC beta-lactamase. | 9804697 |
| Beta-lactamase | IC50 | = | 5000.0 | nM | 5.3 | Compound was tested for its specificity against AmpC beta-lactamase | 9804697 |
| Homo sapiens | IC50 | = | 50000.0 | nM | 4.3 | Compound was tested for its specificity against Elastase | 9804697 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9804697 | 10.1021/jm980343w | Beta-lactamase | 2 |
| 19731939 | 10.1021/jm9009718 | Penicillin-binding protein 2X | 2 |
| 9804697 | 10.1021/jm980343w | Chymotrypsinogen A | 1 |
| 9804697 | 10.1021/jm980343w | Trypsin-2 | 1 |
| 9804697 | 10.1021/jm980343w | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine