Compound Detail
CHEMBL4579552
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CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4579552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDCBKDXOJWQLIW-ADUILBNFSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1995.1
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.92
Ki 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disabled homolog 2-interacting protein CHEMBL4523330 | Kd | 6.92 | 6.87 | 120.5 | 2 |
| Disabled homolog 2-interacting protein CHEMBL4523330 | Ki | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Disabled homolog 2-interacting protein | Kd | = | 120.5 | nM | 6.92 | Binding affinity to human Dab2 DH domain (33 to 191 residues) expressed in Esche... | - |
| Disabled homolog 2-interacting protein | Kd | = | 151.0 | nM | 6.82 | Binding affinity to human Dab2 DH domain (33 to 191 residues) expressed in Esche... | - |
| Disabled homolog 2-interacting protein | Ki | = | 150.0 | nM | 6.82 | Binding affinity to human Dab2 DH domain (33 to 191 residues) expressed in Esche... | - |
Data from ChEMBL 36 via Core Engine