Molecule Details
| InChIKey | BSASWESTQXYVIM-UAFVBSIISA-N |
|---|---|
| Compound Name | (2S)-2-[[2-(azepan-1-yl)acetyl]amino]-4-methyl-N-[(2S)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanamide |
| Canonical SMILES | CC(C)C[C@H](NC(=O)CN1CCCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.04 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28074 | PSMB5 | Homo sapiens | Human | PF00227 | 7.4 | IC50 | ChEMBL;BindingDB |
| P28062 | PSMB8 | Homo sapiens | Human | PF00227 | 7.3 | IC50 | ChEMBL;BindingDB |
| P49721 | PSMB2 | Homo sapiens | Human | PF00227 | 7.1 | IC50 | ChEMBL;BindingDB |
| P40306 | PSMB10 | Homo sapiens | Human | PF12465 PF00227 | 7.0 | IC50 | ChEMBL;BindingDB |
| P28065 | PSMB9 | Homo sapiens | Human | PF00227 | 6.4 | IC50 | ChEMBL;BindingDB |