Compound Detail
CHEMBL4583803
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CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)CN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4583803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CADZRAFJABQDJT-HURDRPMESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1856.9
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Programmed cell death protein 1 CHEMBL3307223 | Kd | 5.86 | 5.86 | 1380.0 | 1 |
| Programmed cell death 1 ligand 1 CHEMBL3580522 | Kd | 5.86 | 5.86 | 1380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Programmed cell death protein 1 | Kd | = | 1380.0 | nM | 5.86 | Binding affinity to human PD1 (34 to 150 residues) expressed in Escherichia coli... | 30247903 |
| Programmed cell death 1 ligand 1 | Kd | = | 1380.0 | nM | 5.86 | Binding affinity to human recombinant PD-L1 by surface plasmon resonance assay | 33454550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30247903 | 10.1021/acs.jmedchem.8b00990 | Programmed cell death protein 1 | 1 |
| 33454550 | 10.1016/j.ejmech.2021.113170 | Programmed cell death 1 ligand 1 | 1 |
Data from ChEMBL 36 via Core Engine