Assay Detail
Binding
CHEMBL3117199
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Inhibition of Clostridium botulinum BoNT/A LC expressed in Escherichia coli assessed as cleavage of SNAPtide preincubated for 5 mins followed by SNAPtide addition measured for 105 mins by fluorescence assay
62
Total Activities
62
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
Identification of clinically viable quinolinol inhibitors of botulinum neurotoxin A light chain.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 62 | 5.42 | 6.10 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3112883 | — | — | 1 | 6.10 |
| CHEMBL3112887 | — | — | 1 | 6.05 |
| CHEMBL3112908 | — | — | 1 | 6.00 |
| CHEMBL3112891 | — | — | 1 | 5.96 |
| CHEMBL3112896 | — | — | 1 | 5.92 |
| CHEMBL3112892 | — | — | 1 | 5.85 |
| CHEMBL3112895 | — | — | 1 | 5.82 |
| CHEMBL3112885 | — | — | 1 | 5.80 |
| CHEMBL3112913 | — | — | 1 | 5.72 |
| CHEMBL3112910 | — | — | 1 | 5.72 |
| CHEMBL3112894 | — | — | 1 | 5.70 |
| CHEMBL3112911 | — | — | 1 | 5.70 |
| CHEMBL3112889 | — | — | 1 | 5.68 |
| CHEMBL3112901 | — | — | 1 | 5.68 |
| CHEMBL1688558 | — | — | 1 | 5.66 |
| CHEMBL3112923 | — | — | 1 | 5.64 |
| CHEMBL1497004 | — | — | 1 | 5.60 |
| CHEMBL3112906 | — | — | 1 | 5.60 |
| CHEMBL3112900 | — | — | 1 | 5.55 |
| CHEMBL3112915 | — | — | 1 | 5.54 |
| CHEMBL3112919 | — | — | 1 | 5.52 |
| CHEMBL3112898 | — | — | 1 | 5.52 |
| CHEMBL598057 | — | — | 1 | 5.48 |
| CHEMBL3112893 | — | — | 1 | 5.46 |
| CHEMBL3112905 | — | — | 1 | 5.46 |
| CHEMBL3112884 | — | — | 1 | 5.44 |
| CHEMBL3112917 | — | — | 1 | 5.38 |
| CHEMBL589706 | — | — | 1 | 5.37 |
| CHEMBL3112921 | — | — | 1 | 5.36 |
| CHEMBL3112907 | — | — | 1 | 5.35 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3112883 | — | IC50 | = | 800.0 | nM | 6.10 |
| CHEMBL3112887 | — | IC50 | = | 900.0 | nM | 6.05 |
| CHEMBL3112908 | — | IC50 | = | 1000.0 | nM | 6.00 |
| CHEMBL3112891 | — | IC50 | = | 1100.0 | nM | 5.96 |
| CHEMBL3112896 | — | IC50 | = | 1200.0 | nM | 5.92 |
| CHEMBL3112892 | — | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL3112895 | — | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL3112885 | — | IC50 | = | 1600.0 | nM | 5.80 |
| CHEMBL3112913 | — | IC50 | = | 1900.0 | nM | 5.72 |
| CHEMBL3112910 | — | IC50 | = | 1900.0 | nM | 5.72 |
| CHEMBL3112894 | — | IC50 | = | 2000.0 | nM | 5.70 |
| CHEMBL3112911 | — | IC50 | = | 2000.0 | nM | 5.70 |
| CHEMBL3112889 | — | IC50 | = | 2100.0 | nM | 5.68 |
| CHEMBL3112901 | — | IC50 | = | 2100.0 | nM | 5.68 |
| CHEMBL1688558 | — | IC50 | = | 2200.0 | nM | 5.66 |
| CHEMBL3112923 | — | IC50 | = | 2300.0 | nM | 5.64 |
| CHEMBL1497004 | — | IC50 | = | 2500.0 | nM | 5.60 |
| CHEMBL3112906 | — | IC50 | = | 2500.0 | nM | 5.60 |
| CHEMBL3112900 | — | IC50 | = | 2800.0 | nM | 5.55 |
| CHEMBL3112915 | — | IC50 | = | 2900.0 | nM | 5.54 |
| CHEMBL3112919 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL3112898 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL598057 | — | IC50 | = | 3300.0 | nM | 5.48 |
| CHEMBL3112893 | — | IC50 | = | 3500.0 | nM | 5.46 |
| CHEMBL3112905 | — | IC50 | = | 3500.0 | nM | 5.46 |
| CHEMBL3112884 | — | IC50 | = | 3600.0 | nM | 5.44 |
| CHEMBL3112917 | — | IC50 | = | 4200.0 | nM | 5.38 |
| CHEMBL589706 | — | IC50 | = | 4300.0 | nM | 5.37 |
| CHEMBL3112921 | — | IC50 | = | 4400.0 | nM | 5.36 |
| CHEMBL3112907 | — | IC50 | = | 4500.0 | nM | 5.35 |
| CHEMBL3112890 | — | IC50 | = | 4600.0 | nM | 5.34 |
| CHEMBL3112920 | — | IC50 | = | 5100.0 | nM | 5.29 |
| CHEMBL3112914 | — | IC50 | = | 5100.0 | nM | 5.29 |
| CHEMBL3112922 | — | IC50 | = | 5200.0 | nM | 5.28 |
| CHEMBL3112909 | — | IC50 | = | 5600.0 | nM | 5.25 |
| CHEMBL3112912 | — | IC50 | = | 5600.0 | nM | 5.25 |
| CHEMBL3112918 | — | IC50 | = | 5600.0 | nM | 5.25 |
| CHEMBL3112897 | — | IC50 | = | 6200.0 | nM | 5.21 |
| CHEMBL3112925 | — | IC50 | = | 6700.0 | nM | 5.17 |
| CHEMBL3112904 | — | IC50 | = | 7100.0 | nM | 5.15 |
| CHEMBL3112899 | — | IC50 | = | 7100.0 | nM | 5.15 |
| CHEMBL3112916 | — | IC50 | = | 7800.0 | nM | 5.11 |
| CHEMBL224325 | CHLORQUINALDOL | IC50 | = | 10100.0 | nM | 5.00 |
| CHEMBL3112886 | — | IC50 | = | 10700.0 | nM | 4.97 |
| CHEMBL1200596 | CHLOROXINE | IC50 | = | 11500.0 | nM | 4.94 |
| CHEMBL3112888 | — | IC50 | = | 13400.0 | nM | 4.87 |
| CHEMBL3112927 | — | IC50 | = | 14100.0 | nM | 4.85 |
| CHEMBL3112924 | — | IC50 | = | 16700.0 | nM | 4.78 |
| CHEMBL497 | CLIOQUINOL | IC50 | = | 20300.0 | nM | 4.69 |
| CHEMBL3112926 | — | IC50 | = | 26700.0 | nM | 4.57 |