Compound Detail
CHEMBL269042
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CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL269042 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | BSSXGPFGEVOMLY-ZTYVOHGWSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1116.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas.
Kd 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 6 CHEMBL3166 | Kd | 6.28 | 6.28 | 530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 6 | Kd | = | 530.0 | nM | 6.28 | Dissociation constant for the interaction with the GST-N-SH2 domain of SHP-1 | 15743195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15743195 | 10.1021/jm049151t | Tyrosine-protein phosphatase non-receptor type 6 | 2 |
Data from ChEMBL 36 via Core Engine