Molecule Details
| InChIKey | BJSIWIFJSRFHPS-AJQTZOPKSA-N |
|---|---|
| Compound Name | US8598206, Table 6, 24 |
| Canonical SMILES | COC(=O)N1CCC(CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.16 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00747 | PLG | Homo sapiens | Human | PF00051 PF00024 PF00089 | 9.0 | Ki | ChEMBL;BindingDB |
| P03952 | KLKB1 | Homo sapiens | Human | PF00024 PF00089 | 8.8 | Ki | ChEMBL;BindingDB |
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 6.4 | Ki | ChEMBL;BindingDB |
| P00748 | F12 | Homo sapiens | Human | PF00008 PF00039 PF00040 PF00051 PF00089 | 6.4 | Ki | ChEMBL;BindingDB |
| P03951 | F11 | Homo sapiens | Human | PF00024 PF00089 | 6.2 | Ki | ChEMBL;BindingDB |
| P04070 | PROC | Homo sapiens | Human | PF14670 PF00594 PF00089 | 6.1 | Ki | ChEMBL;BindingDB |