Molecule Details
| InChIKey | GBNKGLWEDJOYBL-RYQLBKOJSA-N |
|---|---|
| Compound Name | (2S)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(1R)-1,2,3,4-tetrahydroisoquinoline-1-carbonyl]pyrrolidine-2-carboxamide |
| Canonical SMILES | N=C(N)NCCC[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NCCc2ccccc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.57 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 7.0 | IC50 | ChEMBL;BindingDB |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 6.9 | IC50 | ChEMBL;BindingDB |
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 6.2 | IC50 | ChEMBL;BindingDB |
| P00747 | PLG | Homo sapiens | Human | PF00051 PF00024 PF00089 | 6.2 | IC50 | BindingDB |