Assay Detail
Binding
CHEMBL854530
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Binding affinity to Escherichia coli KPR
12
Total Activities
12
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 8 — Homologous single protein target |
| Curated By | Expert |
Target
2-dehydropantoate 2-reductase (CHEMBL4855) ↗| Type | SINGLE PROTEIN |
| Organism | Escherichia coli K-12 |
Publication
Probing hot spots at protein-ligand binding sites: a fragment-based approach using biophysical methods.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Kd | 12 | 4.84 | 6.58 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL295069 | SODIUM beta-NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE | — | 1 | 6.58 |
| CHEMBL2364573 | NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE | — | 1 | 5.24 |
| CHEMBL1161862 | — | — | 1 | 4.21 |
| CHEMBL1161866 | — | — | 1 | 4.18 |
| CHEMBL1161861 | — | — | 1 | 4.00 |
| CHEMBL752 | ADENOSINE PHOSPHATE | 4.0 | 1 | - |
| CHEMBL14830 | ADENOSINE DIPHOSPHATE | 0.5 | 1 | - |
| CHEMBL14249 | ADENOSINE TRIPHOSPHATE | 2.0 | 1 | - |
| CHEMBL1161865 | ADENOSINE DIPHOSPHATE RIBOSE | — | 1 | - |
| CHEMBL1234613 | NADIDE | 2.0 | 1 | - |
| CHEMBL384759 | — | — | 1 | - |
| CHEMBL1233147 | GUANOSINE TRIPHOSPHATE | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL295069 | SODIUM beta-NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE | Kd | = | 260.0 | nM | 6.58 |
| CHEMBL2364573 | NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE | Kd | = | 5800.0 | nM | 5.24 |
| CHEMBL1161862 | — | Kd | = | 61000.0 | nM | 4.21 |
| CHEMBL1161866 | — | Kd | = | 66000.0 | nM | 4.18 |
| CHEMBL1161861 | — | Kd | = | 100000.0 | nM | 4.00 |
| CHEMBL752 | ADENOSINE PHOSPHATE | Kd | > | 5000000.0 | nM | - |
| CHEMBL14830 | ADENOSINE DIPHOSPHATE | Kd | = | 360000.0 | nM | - |
| CHEMBL14249 | ADENOSINE TRIPHOSPHATE | Kd | = | 130000.0 | nM | - |
| CHEMBL1161865 | ADENOSINE DIPHOSPHATE RIBOSE | Kd | = | 6300000.0 | nM | - |
| CHEMBL1234613 | NADIDE | Kd | = | 6900000.0 | nM | - |
| CHEMBL384759 | — | Kd | = | 373000.0 | nM | - |
| CHEMBL1233147 | GUANOSINE TRIPHOSPHATE | Kd | = | 153000.0 | nM | - |