Molecule Details
| InChIKey | QVNZBDLTUKCPGJ-SHQCIBLASA-N |
|---|---|
| Compound Name | Bms-561392 |
| Canonical SMILES | Cc1cc(COc2ccc([C@]3(N)CCN([C@H](CC(C)C)C(=O)NO)C3=O)cc2)c2ccccc2n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.71 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (10)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P78536 | ADAM17 | Homo sapiens | Human | PF16698 PF00200 PF13574 | 9.7 | IC50 | ChEMBL;BindingDB |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.5 | IC50 | ChEMBL |
| P22894 | MMP8 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.5 | IC50 | ChEMBL |
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 6.4 | IC50 | ChEMBL |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.4 | IC50 | ChEMBL |
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.3 | IC50 | ChEMBL |
| P09237 | MMP7 | Homo sapiens | Human | PF00413 PF01471 | 6.3 | IC50 | ChEMBL |
| O14672 | ADAM10 | Homo sapiens | Human | PF21299 PF00200 PF13574 | 6.3 | IC50 | ChEMBL |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 6.3 | IC50 | ChEMBL |
| P50281 | MMP14 | Homo sapiens | Human | PF11857 PF00045 PF00413 PF01471 | 6.3 | IC50 | ChEMBL |