Compound Detail
CHEMBL2111889
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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)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@H]1CSc2ccccc2N(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C1=O
Basic Information
| ChEMBL ID | CHEMBL2111889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXJQZOZFDCAXRY-SWDVZYMBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1228.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B2 bradykinin receptor CHEMBL3157 | Ki | 6.79 | 6.79 | 162.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B2 bradykinin receptor | Ki | = | 162.0 | nM | 6.79 | Binding affinity against human cloned Bradykinin receptor B2 expressed in CHO ce... | 10514288 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10514288 | 10.1021/jm9901529 | B2 bradykinin receptor | 1 |
| 10514288 | 10.1021/jm9901529 | B1 bradykinin receptor | 1 |
Data from ChEMBL 36 via Core Engine