Molecule Details
| InChIKey | NVVGCQABIHSJSQ-KFZSMJGVSA-N |
|---|---|
| Compound Name | Bio-1211 |
| Canonical SMILES | Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)O)C(C)C)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.07 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P20701 | ITGAL | Homo sapiens | Human | PF01839 PF08441 PF20805 PF00357 PF00092 | 9.1 | IC50 | ChEMBL;BindingDB |
| P05556 | ITGB1 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 8.3 | IC50 | ChEMBL |
| P13612 | ITGA4 | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 | 8.3 | IC50 | ChEMBL;BindingDB |
| P05107 | ITGB2 | Homo sapiens | Human | PF23105 PF08725 PF07965 PF00362 PF17205 | 8.3 | IC50 | ChEMBL |
| P56199 | ITGA1 | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00092 | 8.2 | IC50 | ChEMBL |
| P26010 | ITGB7 | Homo sapiens | Human | PF07974 PF08725 PF00362 PF17205 | 6.2 | IC50 | ChEMBL |