Molecule Details
| InChIKey | QXZBMSIDSOZZHK-DOPDSADYSA-N |
|---|---|
| Compound Name | pGlu-Gln-Arg-Leu-Gly-Asn-Gln-Trp-Ala-Val |
| Canonical SMILES | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.07 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11724 |
|---|---|
| Drug Name | Bombesin |
| CAS Number | 31362-50-2 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Bombesin is under investigation in clinical trial NCT01205321 (PET/CT Imaging for Radiation Dosimetry, Plasma Pharmacokinetics, Biodistribution, Safety and Tolerability and Diagnostic Performance of BAY86-7548 in Patients With Prostate Cancer and Healthy Volunteers). |
Categories: Amino Acids, Peptides, and Proteins Amphibian Venoms Biological Factors Bombesin, antagonists & inhibitors Complex Mixtures Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Nerve Tissue Proteins Neuropeptides Neurotransmitter Agents Peptide Hormones Peptides Proteins Toxins, Biological Venoms
Cross-references: BindingDB: 86499 CHEMBL437027 ChemSpider: 17290379 PubChem:347911231 Wikipedia: Bombesin
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P30550 | GRPR | Homo sapiens | Human | PF00001 | 9.8 | Ki | ChEMBL;BindingDB |
| P07492 | GRP | Homo sapiens | Human | PF02044 | 9.4 | Ki | BindingDB |
| P28336 | NMBR | Homo sapiens | Human | PF00001 | 8.7 | Ki | ChEMBL;BindingDB |
| P25929 | NPY1R | Homo sapiens | Human | PF00001 | 8.3 | IC50 | ChEMBL;BindingDB |