Molecule Details
| InChIKey | UKWSBIBETQJWIR-QUCCMNQESA-N |
|---|---|
| Compound Name | [(1R)-2-cyclohexyl-1-[[(2R)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]ethyl]boronic acid |
| Canonical SMILES | O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)B(O)O)c1cnccn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 20 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.31 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (20)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P36776 | LONP1 | Homo sapiens | Human | PF00004 PF05362 PF22667 PF02190 | 7.0 | IC50 | ChEMBL;BindingDB |
| A5LHX3 | PSMB11 | Homo sapiens | Human | PF00227 | 6.3 | IC50 | ChEMBL |
| O14818 | PSMA7 | Homo sapiens | Human | PF00227 PF10584 | 6.3 | IC50 | ChEMBL |
| P20618 | PSMB1 | Homo sapiens | Human | PF00227 | 6.3 | IC50 | ChEMBL |
| P25786 | PSMA1 | Homo sapiens | Human | PF00227 PF10584 | 6.3 | IC50 | ChEMBL |
| P25787 | PSMA2 | Homo sapiens | Human | PF00227 PF10584 | 6.3 | IC50 | ChEMBL |
| P25788 | PSMA3 | Homo sapiens | Human | PF00227 PF10584 | 6.3 | IC50 | ChEMBL |
| P25789 | PSMA4 | Homo sapiens | Human | PF00227 PF10584 | 6.3 | IC50 | ChEMBL |
| P28062 | PSMB8 | Homo sapiens | Human | PF00227 | 6.3 | IC50 | ChEMBL |
| P28065 | PSMB9 | Homo sapiens | Human | PF00227 | 6.3 | IC50 | ChEMBL |
| P28066 | PSMA5 | Homo sapiens | Human | PF00227 PF10584 | 6.3 | IC50 | ChEMBL |
| P28070 | PSMB4 | Homo sapiens | Human | PF00227 | 6.3 | IC50 | ChEMBL |
| P28072 | PSMB6 | Homo sapiens | Human | PF00227 | 6.3 | IC50 | ChEMBL |
| P28074 | PSMB5 | Homo sapiens | Human | PF00227 | 6.3 | IC50 | ChEMBL;BindingDB |
| P40306 | PSMB10 | Homo sapiens | Human | PF12465 PF00227 | 6.3 | IC50 | ChEMBL |
| P49720 | PSMB3 | Homo sapiens | Human | PF00227 | 6.3 | IC50 | ChEMBL |
| P49721 | PSMB2 | Homo sapiens | Human | PF00227 | 6.3 | IC50 | ChEMBL |
| P60900 | PSMA6 | Homo sapiens | Human | PF00227 PF10584 | 6.3 | IC50 | ChEMBL |
| Q8TAA3 | PSMA8 | Homo sapiens | Human | PF00227 PF10584 | 6.3 | IC50 | ChEMBL |
| Q99436 | PSMB7 | Homo sapiens | Human | PF12465 PF00227 | 6.3 | IC50 | ChEMBL |