Molecule Details
| InChIKey | LKEGXJXRNBALBV-PMCHYTPCSA-N |
|---|---|
| Compound Name | dBET1 |
| Canonical SMILES | Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.07 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q58F21 | BRDT | Homo sapiens | Human | PF17035 PF17105 PF00439 | 8.2 | Kd | ChEMBL;BindingDB |
| Q15059 | BRD3 | Homo sapiens | Human | PF17035 PF00439 | 8.2 | Ki | ChEMBL |
| Q16531 | DDB1 | Homo sapiens | Human | PF10433 PF23726 PF03178 | 8.1 | IC50 | ChEMBL;BindingDB |
| Q96SW2 | CRBN | Homo sapiens | Human | PF02190 PF03226 | 8.1 | IC50 | ChEMBL |
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 7.7 | IC50 | ChEMBL |