Compound Detail
CHEMBL3350763
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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)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@H](CCCN=C(N)N)C(=O)O)C1=O
Basic Information
| ChEMBL ID | CHEMBL3350763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPACMRSWYNTECZ-AEEJWFFFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1285.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B2 bradykinin receptor CHEMBL3157 | Ki | 7.07 | 6.525 | 86.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B2 bradykinin receptor | Ki | = | 86.0 | nM | 7.07 | Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO ce... | 10514289 |
| B2 bradykinin receptor | Ki | = | 1040.0 | nM | 5.98 | Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO ce... | 10514289 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10514289 | 10.1021/jm9901531 | B2 bradykinin receptor | 2 |
Data from ChEMBL 36 via Core Engine