Compound Detail
CHEMBL2369828
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NC(N)=NCCC[C@@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1c2ccccc2C[C@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2369828 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | XUBHEHCAZAAOOF-AGWQVMRHSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1142.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.5
Ki 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B1 bradykinin receptor CHEMBL4308 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Homo sapiens CHEMBL372 | Kd | 7.5 | 7.5 | 31.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B1 bradykinin receptor | Ki | = | 24.0 | nM | 7.62 | Ability to bind to human cloned B1 receptor in competition binding experiments w... | 10882364 |
| Homo sapiens | Kd | = | 31.62 | nM | 7.5 | Ability to inhibit contraction of human umbilical vein (HUV) induced by [des-Arg... | 10882364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10882364 | 10.1021/jm990961s | Homo sapiens | 2 |
| 10882364 | 10.1021/jm990961s | B2 bradykinin receptor | 1 |
| 10882364 | 10.1021/jm990961s | B1 bradykinin receptor | 1 |
Data from ChEMBL 36 via Core Engine