Assay Detail
Binding
CHEMBL2033254
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Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis
44
Total Activities
44
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Clostridium botulinum |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
Botulinum neurotoxin type A (CHEMBL5192) ↗| Type | SINGLE PROTEIN |
| Organism | Clostridium botulinum |
Publication
Reexamining hydroxamate inhibitors of botulinum neurotoxin serotype A: extending towards the β-exosite.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 44 | 5.19 | 6.64 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL2032269 | — | — | 1 | 6.64 |
| CHEMBL2032254 | — | — | 1 | 6.26 |
| CHEMBL2032381 | — | — | 1 | 6.25 |
| CHEMBL2032387 | — | — | 1 | 6.21 |
| CHEMBL2032249 | — | — | 1 | 6.19 |
| CHEMBL2032383 | — | — | 1 | 6.18 |
| CHEMBL237370 | CINNAMIC ACID HYDROXAMATE | — | 1 | 6.17 |
| CHEMBL2032250 | — | — | 1 | 6.16 |
| CHEMBL2032382 | — | — | 1 | 6.12 |
| CHEMBL2032248 | — | — | 1 | 6.01 |
| CHEMBL2032266 | — | — | 1 | 5.95 |
| CHEMBL2032396 | — | — | 1 | 5.94 |
| CHEMBL2032389 | — | — | 1 | 5.92 |
| CHEMBL2032252 | — | — | 1 | 5.91 |
| CHEMBL2032393 | — | — | 1 | 5.88 |
| CHEMBL2032388 | — | — | 1 | 5.55 |
| CHEMBL2032384 | — | — | 1 | 5.10 |
| CHEMBL2032398 | — | — | 1 | 5.04 |
| CHEMBL2032253 | — | — | 1 | 5.02 |
| CHEMBL2032386 | — | — | 1 | 5.00 |
| CHEMBL2032391 | — | — | 1 | 4.91 |
| CHEMBL2032251 | — | — | 1 | 4.87 |
| CHEMBL2032262 | — | — | 1 | 4.81 |
| CHEMBL2032392 | — | — | 1 | 4.67 |
| CHEMBL2032395 | — | — | 1 | 4.65 |
| CHEMBL2032256 | — | — | 1 | 4.60 |
| CHEMBL2032394 | — | — | 1 | 4.60 |
| CHEMBL2032270 | — | — | 1 | 4.56 |
| CHEMBL2032247 | — | — | 1 | 4.50 |
| CHEMBL2032255 | — | — | 1 | 4.49 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL2032269 | — | IC50 | = | 230.0 | nM | 6.64 |
| CHEMBL2032254 | — | IC50 | = | 550.0 | nM | 6.26 |
| CHEMBL2032381 | — | IC50 | = | 560.0 | nM | 6.25 |
| CHEMBL2032387 | — | IC50 | = | 610.0 | nM | 6.21 |
| CHEMBL2032249 | — | IC50 | = | 640.0 | nM | 6.19 |
| CHEMBL2032383 | — | IC50 | = | 660.0 | nM | 6.18 |
| CHEMBL237370 | CINNAMIC ACID HYDROXAMATE | IC50 | = | 670.0 | nM | 6.17 |
| CHEMBL2032250 | — | IC50 | = | 690.0 | nM | 6.16 |
| CHEMBL2032382 | — | IC50 | = | 750.0 | nM | 6.12 |
| CHEMBL2032248 | — | IC50 | = | 980.0 | nM | 6.01 |
| CHEMBL2032266 | — | IC50 | = | 1130.0 | nM | 5.95 |
| CHEMBL2032396 | — | IC50 | = | 1160.0 | nM | 5.94 |
| CHEMBL2032389 | — | IC50 | = | 1210.0 | nM | 5.92 |
| CHEMBL2032252 | — | IC50 | = | 1230.0 | nM | 5.91 |
| CHEMBL2032393 | — | IC50 | = | 1320.0 | nM | 5.88 |
| CHEMBL2032388 | — | IC50 | = | 2790.0 | nM | 5.55 |
| CHEMBL2032384 | — | IC50 | = | 8010.0 | nM | 5.10 |
| CHEMBL2032398 | — | IC50 | = | 9110.0 | nM | 5.04 |
| CHEMBL2032253 | — | IC50 | = | 9490.0 | nM | 5.02 |
| CHEMBL2032386 | — | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL2032391 | — | IC50 | = | 12300.0 | nM | 4.91 |
| CHEMBL2032251 | — | IC50 | = | 13400.0 | nM | 4.87 |
| CHEMBL2032262 | — | IC50 | = | 15400.0 | nM | 4.81 |
| CHEMBL2032392 | — | IC50 | = | 21300.0 | nM | 4.67 |
| CHEMBL2032395 | — | IC50 | = | 22300.0 | nM | 4.65 |
| CHEMBL2032256 | — | IC50 | = | 24900.0 | nM | 4.60 |
| CHEMBL2032394 | — | IC50 | = | 24900.0 | nM | 4.60 |
| CHEMBL2032270 | — | IC50 | = | 27300.0 | nM | 4.56 |
| CHEMBL2032247 | — | IC50 | = | 31300.0 | nM | 4.50 |
| CHEMBL2032255 | — | IC50 | = | 32300.0 | nM | 4.49 |
| CHEMBL2032261 | — | IC50 | = | 33100.0 | nM | 4.48 |
| CHEMBL2032267 | — | IC50 | = | 35000.0 | nM | 4.46 |
| CHEMBL2032271 | — | IC50 | = | 35300.0 | nM | 4.45 |
| CHEMBL2032260 | — | IC50 | = | 35700.0 | nM | 4.45 |
| CHEMBL2032259 | — | IC50 | = | 38200.0 | nM | 4.42 |
| CHEMBL2032265 | — | IC50 | = | 42700.0 | nM | 4.37 |
| CHEMBL2032257 | — | IC50 | = | 60700.0 | nM | 4.22 |
| CHEMBL2032397 | — | IC50 | = | 66200.0 | nM | 4.18 |
| CHEMBL2032264 | — | IC50 | = | 68400.0 | nM | 4.17 |
| CHEMBL2032390 | — | IC50 | = | 73200.0 | nM | 4.13 |
| CHEMBL2032263 | — | IC50 | > | 100000.0 | nM | - |
| CHEMBL2032268 | — | IC50 | > | 100000.0 | nM | - |
| CHEMBL2032385 | — | IC50 | > | 100000.0 | nM | - |
| CHEMBL2032258 | — | IC50 | > | 100000.0 | nM | - |