Molecule Details
| InChIKey | NUJWKQSEJDYCDB-GNRVTEMESA-N |
|---|---|
| Compound Name | Bms-681 |
| Canonical SMILES | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.57 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P41597 | CCR2 | Homo sapiens | Human | PF00001 | 9.2 | IC50 | ChEMBL;BindingDB |
| P51681 | CCR5 | Homo sapiens | Human | PF00001 | 8.6 | IC50 | ChEMBL;BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL;BindingDB |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL;BindingDB |