Compound Detail
CHEMBL4530490
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C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4530490 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZRZKAPXEZHQNM-LKDNPKTDSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
2488.7
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Programmed cell death 1 ligand 1 CHEMBL3580522 | Kd | 4.03 | 4.03 | 94000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Programmed cell death 1 ligand 1 | Kd | = | 94000.0 | nM | 4.03 | Binding affinity to biotinylated PDL1 (unknown origin) expressed in Escherichia ... | 30247903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30247903 | 10.1021/acs.jmedchem.8b00990 | Programmed cell death 1 ligand 1 | 1 |
| 33454550 | 10.1016/j.ejmech.2021.113170 | Programmed cell death 1 ligand 1 | 1 |
| 33454550 | 10.1016/j.ejmech.2021.113170 | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine