Compound Detail
CHEMBL2370160
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NC(N)=NCCC[C@H](NC(=O)[C@H]1Cc2ccccc2N1C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2370160 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | SZMPTYLDFMNGEJ-OXNMUVKWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1314.6
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B2 bradykinin receptor CHEMBL4111 | IC50 | 10.05 | 10.05 | 0.1 | 1 |
| B2 bradykinin receptor CHEMBL3157 | IC50 | 9.31 | 9.31 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B2 bradykinin receptor | IC50 | = | 0.09 | nM | 10.05 | Inhibition of specific binding of [3H]BK at 0.06 nM to bradykinin receptor B2 in... | 15115408 |
| B2 bradykinin receptor | IC50 | = | 0.49 | nM | 9.31 | Inhibition of specific binding of [3H]BK at 1 nM to human bradykinin receptor B2... | 15115408 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115408 | 10.1021/jm030326t | Cavia porcellus | 3 |
| 15115408 | 10.1021/jm030326t | B2 bradykinin receptor | 2 |
Data from ChEMBL 36 via Core Engine