Assay Detail
Binding
CHEMBL3130225
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Inhibition of human DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric analysis in presence of NADPH
29
Total Activities
29
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Structure-based design of new dihydrofolate reductase antibacterial agents: 7-(benzimidazol-1-yl)-2,4-diaminoquinazolines.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 29 | 6.24 | 8.54 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3128013 | — | — | 1 | 8.54 |
| CHEMBL3128014 | — | — | 1 | 8.12 |
| CHEMBL3128021 | — | — | 1 | 7.03 |
| CHEMBL3128017 | — | — | 1 | 6.77 |
| CHEMBL3128018 | — | — | 1 | 6.50 |
| CHEMBL3127914 | — | — | 1 | 6.36 |
| CHEMBL3127912 | — | — | 1 | 6.24 |
| CHEMBL3127909 | — | — | 1 | 6.21 |
| CHEMBL3128026 | — | — | 1 | 6.18 |
| CHEMBL3128024 | — | — | 1 | 6.14 |
| CHEMBL3127919 | — | — | 1 | 6.13 |
| CHEMBL134561 | ICLAPRIM | 3.0 | 1 | 6.11 |
| CHEMBL3127910 | — | — | 1 | 6.08 |
| CHEMBL3128016 | — | — | 1 | 6.07 |
| CHEMBL3128023 | — | — | 1 | 6.03 |
| CHEMBL3128025 | — | — | 1 | 5.99 |
| CHEMBL3128022 | — | — | 1 | 5.96 |
| CHEMBL3127917 | — | — | 1 | 5.96 |
| CHEMBL3127916 | — | — | 1 | 5.93 |
| CHEMBL3127913 | — | — | 1 | 5.81 |
| CHEMBL3128020 | — | — | 1 | 5.79 |
| CHEMBL3127915 | — | — | 1 | 5.64 |
| CHEMBL3128027 | — | — | 1 | 5.53 |
| CHEMBL22 | TRIMETHOPRIM | 4.0 | 1 | 4.72 |
| CHEMBL3128019 | — | — | 1 | - |
| CHEMBL34259 | METHOTREXATE | 4.0 | 1 | - |
| CHEMBL3128015 | — | — | 1 | - |
| CHEMBL3127911 | — | — | 1 | - |
| CHEMBL3127918 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3128013 | — | Ki | = | 2.9 | nM | 8.54 |
| CHEMBL3128014 | — | Ki | = | 7.6 | nM | 8.12 |
| CHEMBL3128021 | — | Ki | = | 93.0 | nM | 7.03 |
| CHEMBL3128017 | — | Ki | = | 170.0 | nM | 6.77 |
| CHEMBL3128018 | — | Ki | = | 320.0 | nM | 6.50 |
| CHEMBL3127914 | — | Ki | = | 437.0 | nM | 6.36 |
| CHEMBL3127912 | — | Ki | = | 572.0 | nM | 6.24 |
| CHEMBL3127909 | — | Ki | = | 610.0 | nM | 6.21 |
| CHEMBL3128026 | — | Ki | = | 663.0 | nM | 6.18 |
| CHEMBL3128024 | — | Ki | = | 723.0 | nM | 6.14 |
| CHEMBL3127919 | — | Ki | = | 749.0 | nM | 6.13 |
| CHEMBL134561 | ICLAPRIM | Ki | = | 775.0 | nM | 6.11 |
| CHEMBL3127910 | — | Ki | = | 841.0 | nM | 6.08 |
| CHEMBL3128016 | — | Ki | = | 854.0 | nM | 6.07 |
| CHEMBL3128023 | — | Ki | = | 943.0 | nM | 6.03 |
| CHEMBL3128025 | — | Ki | = | 1026.0 | nM | 5.99 |
| CHEMBL3128022 | — | Ki | = | 1101.0 | nM | 5.96 |
| CHEMBL3127917 | — | Ki | = | 1086.0 | nM | 5.96 |
| CHEMBL3127916 | — | Ki | = | 1164.0 | nM | 5.93 |
| CHEMBL3127913 | — | Ki | = | 1564.0 | nM | 5.81 |
| CHEMBL3128020 | — | Ki | = | 1607.0 | nM | 5.79 |
| CHEMBL3127915 | — | Ki | = | 2299.0 | nM | 5.64 |
| CHEMBL3128027 | — | Ki | = | 2922.0 | nM | 5.53 |
| CHEMBL22 | TRIMETHOPRIM | Ki | = | 19070.0 | nM | 4.72 |
| CHEMBL3128019 | — | Ki | > | 3000.0 | nM | - |
| CHEMBL34259 | METHOTREXATE | Ki | <= | 0.004 | nM | - |
| CHEMBL3128015 | — | Ki | > | 3000.0 | nM | - |
| CHEMBL3127911 | — | Ki | > | 5000.0 | nM | - |
| CHEMBL3127918 | — | Ki | > | 5000.0 | nM | - |