Compound Detail
CHEMBL2158054
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCCCCCCCCCNC(=O)c4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)nn3)N2C1=O
Basic Information
| ChEMBL ID | CHEMBL2158054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAOHXUOBXHDSFA-KOYPEAILSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1066.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Baculoviral IAP repeat-containing protein 2 CHEMBL5462 | Kd | 9.15 | 9.15 | 0.7 | 1 |
| Baculoviral IAP repeat-containing protein 3 CHEMBL5335 | Kd | 8.72 | 8.72 | 1.9 | 1 |
| E3 ubiquitin-protein ligase XIAP CHEMBL4198 | Kd | 8.36 | 8.36 | 4.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Baculoviral IAP repeat-containing protein 2 | Kd | = | 0.7 | nM | 9.15 | Binding affinity to human cIAP1 BIR3 domain expressed in Escherichia coli BL21(D... | 21443232 |
| Baculoviral IAP repeat-containing protein 3 | Kd | = | 1.9 | nM | 8.72 | Binding affinity to human cIAP2 BIR3 domain expressed in Escherichia coli BL21(D... | 21443232 |
| E3 ubiquitin-protein ligase XIAP | Kd | = | 4.4 | nM | 8.36 | Binding affinity to His6-tagged human XIAP BIR3 domain expressed in Escherichia ... | 21443232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21443232 | 10.1021/jm101505d | E3 ubiquitin-protein ligase XIAP | 1 |
| 21443232 | 10.1021/jm101505d | Baculoviral IAP repeat-containing protein 2 | 1 |
| 21443232 | 10.1021/jm101505d | Baculoviral IAP repeat-containing protein 3 | 1 |
Data from ChEMBL 36 via Core Engine