Assay Detail
ADMET
CHEMBL4182255
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Inhibition of recombinant human BRD2 bromodomain 1 (49 to 170 residues) using biotin labeled peptide substrate preincubated for 15 mins followed by substrate addition measured after 1 hr by TR-FRET assay
8
Total Activities
8
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 8 | 5.75 | 6.43 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1957266 | — | — | 1 | 6.43 |
| CHEMBL2177300 | — | — | 1 | 6.14 |
| CHEMBL4202664 | — | — | 1 | 5.85 |
| CHEMBL4205876 | — | — | 1 | 5.75 |
| CHEMBL4209110 | — | — | 1 | 5.70 |
| CHEMBL4206677 | — | — | 1 | 5.61 |
| CHEMBL4210405 | — | — | 1 | 5.28 |
| CHEMBL4207106 | — | — | 1 | 5.24 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1957266 | — | IC50 | = | 370.0 | nM | 6.43 |
| CHEMBL2177300 | — | IC50 | = | 720.0 | nM | 6.14 |
| CHEMBL4202664 | — | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL4205876 | — | IC50 | = | 1770.0 | nM | 5.75 |
| CHEMBL4209110 | — | IC50 | = | 2020.0 | nM | 5.70 |
| CHEMBL4206677 | — | IC50 | = | 2480.0 | nM | 5.61 |
| CHEMBL4210405 | — | IC50 | = | 5210.0 | nM | 5.28 |
| CHEMBL4207106 | — | IC50 | = | 5800.0 | nM | 5.24 |