Assay Detail
Binding
CHEMBL5045459
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Inhibition of wild type Candida albicans Fructose-1,6-Bisphosphate Aldolase transfected in Escherichia coli BL21 (DE3) incubated for 3 mins in presence of NADH by spectrophotometric analysis
42
Total Activities
42
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Candida albicans |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of <i>Candidiasis</i>.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 42 | 6.93 | 7.89 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5078831 | — | — | 1 | 7.89 |
| CHEMBL3894673 | — | — | 1 | 7.88 |
| CHEMBL51085 | EBSELEN | 3.0 | 1 | 7.84 |
| CHEMBL5087042 | — | — | 1 | 7.76 |
| CHEMBL3919905 | — | — | 1 | 7.65 |
| CHEMBL5086822 | — | — | 1 | 7.51 |
| CHEMBL5075692 | — | — | 1 | 7.42 |
| CHEMBL5094902 | — | — | 1 | 7.41 |
| CHEMBL3655715 | — | — | 1 | 7.35 |
| CHEMBL5082736 | — | — | 1 | 7.34 |
| CHEMBL5079558 | — | — | 1 | 7.22 |
| CHEMBL5087062 | — | — | 1 | 7.14 |
| CHEMBL5077775 | — | — | 1 | 7.12 |
| CHEMBL5086795 | — | — | 1 | 7.08 |
| CHEMBL5083255 | — | — | 1 | 7.08 |
| CHEMBL5092396 | — | — | 1 | 7.08 |
| CHEMBL5091840 | — | — | 1 | 7.07 |
| CHEMBL5084537 | — | — | 1 | 7.04 |
| CHEMBL3913676 | — | — | 1 | 7.04 |
| CHEMBL5089438 | — | — | 1 | 7.03 |
| CHEMBL5076387 | — | — | 1 | 7.02 |
| CHEMBL5071801 | — | — | 1 | 7.01 |
| CHEMBL5074084 | — | — | 1 | 7.00 |
| CHEMBL4763413 | — | — | 1 | 6.96 |
| CHEMBL5093606 | — | — | 1 | 6.95 |
| CHEMBL3920474 | — | — | 1 | 6.93 |
| CHEMBL4099078 | — | — | 1 | 6.92 |
| CHEMBL5076183 | — | — | 1 | 6.89 |
| CHEMBL5090832 | — | — | 1 | 6.81 |
| CHEMBL45152 | — | — | 1 | 6.62 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5078831 | — | IC50 | = | 13.0 | nM | 7.89 |
| CHEMBL3894673 | — | IC50 | = | 13.3 | nM | 7.88 |
| CHEMBL51085 | EBSELEN | IC50 | = | 14.3 | nM | 7.84 |
| CHEMBL5087042 | — | IC50 | = | 17.3 | nM | 7.76 |
| CHEMBL3919905 | — | IC50 | = | 22.5 | nM | 7.65 |
| CHEMBL5086822 | — | IC50 | = | 31.0 | nM | 7.51 |
| CHEMBL5075692 | — | IC50 | = | 38.0 | nM | 7.42 |
| CHEMBL5094902 | — | IC50 | = | 38.9 | nM | 7.41 |
| CHEMBL3655715 | — | IC50 | = | 44.5 | nM | 7.35 |
| CHEMBL5082736 | — | IC50 | = | 45.8 | nM | 7.34 |
| CHEMBL5079558 | — | IC50 | = | 60.0 | nM | 7.22 |
| CHEMBL5087062 | — | IC50 | = | 72.7 | nM | 7.14 |
| CHEMBL5077775 | — | IC50 | = | 76.0 | nM | 7.12 |
| CHEMBL5092396 | — | IC50 | = | 84.0 | nM | 7.08 |
| CHEMBL5083255 | — | IC50 | = | 84.0 | nM | 7.08 |
| CHEMBL5086795 | — | IC50 | = | 82.3 | nM | 7.08 |
| CHEMBL5091840 | — | IC50 | = | 85.0 | nM | 7.07 |
| CHEMBL5084537 | — | IC50 | = | 92.0 | nM | 7.04 |
| CHEMBL3913676 | — | IC50 | = | 91.0 | nM | 7.04 |
| CHEMBL5089438 | — | IC50 | = | 93.0 | nM | 7.03 |
| CHEMBL5076387 | — | IC50 | = | 96.3 | nM | 7.02 |
| CHEMBL5071801 | — | IC50 | = | 97.3 | nM | 7.01 |
| CHEMBL5074084 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL4763413 | — | IC50 | = | 110.0 | nM | 6.96 |
| CHEMBL5093606 | — | IC50 | = | 113.0 | nM | 6.95 |
| CHEMBL3920474 | — | IC50 | = | 118.0 | nM | 6.93 |
| CHEMBL4099078 | — | IC50 | = | 120.0 | nM | 6.92 |
| CHEMBL5076183 | — | IC50 | = | 130.0 | nM | 6.89 |
| CHEMBL5090832 | — | IC50 | = | 155.0 | nM | 6.81 |
| CHEMBL45152 | — | IC50 | = | 241.5 | nM | 6.62 |
| CHEMBL1721135 | — | IC50 | = | 370.0 | nM | 6.43 |
| CHEMBL3360028 | — | IC50 | = | 488.0 | nM | 6.31 |
| CHEMBL5079356 | — | IC50 | = | 1110.0 | nM | 5.96 |
| CHEMBL99313 | — | IC50 | = | 5750.0 | nM | 5.24 |
| CHEMBL5090984 | — | IC50 | = | 15720.0 | nM | 4.80 |
| CHEMBL5075467 | — | IC50 | = | 17700.0 | nM | 4.75 |
| CHEMBL5093563 | — | IC50 | > | 100000.0 | nM | - |
| CHEMBL1713236 | — | IC50 | > | 100000.0 | nM | - |
| CHEMBL1568952 | — | IC50 | > | 100000.0 | nM | - |
| CHEMBL5089910 | — | IC50 | > | 50000.0 | nM | - |
| CHEMBL5086331 | — | IC50 | > | 50000.0 | nM | - |
| CHEMBL297304 | — | IC50 | > | 5000.0 | nM | - |