Compound Detail
CHEMBL3038106
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NC(N)=NCCC[C@H](NC(=O)CN(C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C1CCCCC1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3038106 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | UXDWPVCVOSDRRK-FZBSOYHWSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1308.5
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.22
Kd 1 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 10.22 | 10.22 | 0.1 | 1 |
| B2 bradykinin receptor CHEMBL3157 | Ki | 9.69 | 9.69 | 0.2 | 1 |
| B2 bradykinin receptor CHEMBL2501 | Kd | 8.48 | 8.48 | 3.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.06026 | nM | 10.22 | Binding affinity towards bradykinin receptor using [3H]BK as radioligand in guin... | 8691478 |
| B2 bradykinin receptor | Ki | = | 0.2042 | nM | 9.69 | Binding affinity towards Bradykinin receptor B2 in human S34 clone cells | 8691478 |
| B2 bradykinin receptor | Kd | = | 3.311 | nM | 8.48 | In vitro Bradykinin receptor B2 antagonist activity by using rat uterus function... | 8691478 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691478 | 10.1021/jm950716i | B2 bradykinin receptor | 2 |
| 8691478 | 10.1021/jm950716i | Rattus norvegicus | 1 |
| 8691478 | 10.1021/jm950716i | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine