Assay Detail
Binding
CHEMBL838688
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Binding affinity towards mycobacterium tuberculosis thymidine monophosphate kinase
18
Total Activities
18
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Mycobacterium tuberculosis |
| Confidence | 8 — Homologous single protein target |
| Curated By | Expert |
Publication
LEA3D: a computer-aided ligand design for structure-based drug design.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 18 | 4.39 | 4.91 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL189878 | — | — | 1 | 4.91 |
| CHEMBL193779 | — | — | 1 | 4.78 |
| CHEMBL52609 | DOXRIBTIMINE | 2.0 | 1 | 4.57 |
| CHEMBL190125 | — | — | 1 | 4.50 |
| CHEMBL189057 | — | — | 1 | 4.42 |
| CHEMBL190145 | — | — | 1 | 4.36 |
| CHEMBL190912 | — | — | 1 | 4.36 |
| CHEMBL193948 | — | — | 1 | 4.35 |
| CHEMBL190616 | — | — | 1 | 4.30 |
| CHEMBL365098 | — | — | 1 | 4.17 |
| CHEMBL189636 | — | — | 1 | 4.17 |
| CHEMBL365123 | — | — | 1 | 4.12 |
| CHEMBL189491 | — | — | 1 | 4.05 |
| CHEMBL370674 | — | — | 1 | - |
| CHEMBL373302 | — | — | 1 | - |
| CHEMBL414848 | — | — | 1 | - |
| CHEMBL191010 | — | — | 1 | - |
| CHEMBL364887 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL189878 | — | Ki | = | 12300.0 | nM | 4.91 |
| CHEMBL193779 | — | Ki | = | 16500.0 | nM | 4.78 |
| CHEMBL52609 | DOXRIBTIMINE | Ki | = | 27000.0 | nM | 4.57 |
| CHEMBL190125 | — | Ki | = | 32000.0 | nM | 4.50 |
| CHEMBL189057 | — | Ki | = | 38000.0 | nM | 4.42 |
| CHEMBL190145 | — | Ki | = | 44000.0 | nM | 4.36 |
| CHEMBL190912 | — | Ki | = | 44000.0 | nM | 4.36 |
| CHEMBL193948 | — | Ki | = | 45000.0 | nM | 4.35 |
| CHEMBL190616 | — | Ki | = | 50000.0 | nM | 4.30 |
| CHEMBL365098 | — | Ki | = | 67000.0 | nM | 4.17 |
| CHEMBL189636 | — | Ki | = | 68000.0 | nM | 4.17 |
| CHEMBL365123 | — | Ki | = | 75000.0 | nM | 4.12 |
| CHEMBL189491 | — | Ki | = | 90000.0 | nM | 4.05 |
| CHEMBL370674 | — | Ki | = | 980000.0 | nM | - |
| CHEMBL373302 | — | Ki | = | 810000.0 | nM | - |
| CHEMBL414848 | — | Ki | = | 240000.0 | nM | - |
| CHEMBL191010 | — | Ki | = | 265000.0 | nM | - |
| CHEMBL364887 | — | Ki | = | 110000.0 | nM | - |