Molecule Details
| InChIKey | GVCFSBGCJBRHFS-UHFFFAOYSA-N |
|---|---|
| Compound Name | Bet BD2-IN-1 |
| Canonical SMILES | CN1CCC(NC(=O)c2cccc(CN3c4ccccc4C=C4c5c(cccc53)C(=O)N4C)c2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.09 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 7.5 | IC50 | ChEMBL |
| Q15059 | BRD3 | Homo sapiens | Human | PF17035 PF00439 | 7.3 | IC50 | ChEMBL |
| P25440 | BRD2 | Homo sapiens | Human | PF17035 PF00439 | 7.2 | IC50 | ChEMBL |
| Q58F21 | BRDT | Homo sapiens | Human | PF17035 PF17105 PF00439 | 6.3 | IC50 | ChEMBL |