Molecule Details
| InChIKey | DNYBIOICMDTDAP-UHFFFAOYSA-N |
|---|---|
| Compound Name | BS-181 |
| Canonical SMILES | CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.07 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL;BindingDB |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 7.7 | IC50 | ChEMBL;BindingDB |
| P51948 | MNAT1 | Homo sapiens | Human | PF25811 PF06391 PF17121 | 6.9 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL;BindingDB |