Compound Detail
CHEMBL4286411
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CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC[Se]C)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL4286411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTJDIEBNSYATEZ-BGBFCPIGSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1086.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.34
Ki 1 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | Ki | 8.41 | 8.41 | 3.9 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | Kd | 7.34 | 7.34 | 45.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | Ki | = | 3.91 | nM | 8.41 | Displacement of non-sulfated CCK-8 from CCKB receptor (unknown origin) expressed... | 30395477 |
| Gastrin/cholecystokinin type B receptor | Kd | = | 45.5 | nM | 7.34 | Binding affinity to CCKB receptor (unknown origin) expressed in HEK cells after ... | 30395477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30395477 | 10.1021/acs.jmedchem.8b01320 | Gastrin/cholecystokinin type B receptor | 3 |
Data from ChEMBL 36 via Core Engine