Compound Detail
CHEMBL500830
DYNORPHIN B Enter ChEMBL ID:
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CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL500830 |
| Name | DYNORPHIN B |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | AGTSSZRZBSNTGQ-ITZCFHCWSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1570.9
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 9.89
Ki 1 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | EC50 | 9.89 | 9.89 | 0.1 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.17 | 8.17 | 6.7 | 1 |
| c-Jun N-terminal kinase, JNK CHEMBL2096667 | EC50 | 7.06 | 7.06 | 87.0 | 1 |
| Mas-related G-protein coupled receptor member X2 CHEMBL5849 | EC50 | 5.19 | 4.9167 | 6456.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | EC50 | = | 0.13 | nM | 9.89 | Agonist activity at KOR (unknown origin) by Glo sensor assay | 28288109 |
| Unchecked | Ki | = | 6.7 | nM | 8.17 | Displacement of [131I]-[D-Ala2,4'-I-Phe8]alpha-Neoendorphin from opioid receptor... | 23796454 |
| c-Jun N-terminal kinase, JNK | EC50 | = | 87.0 | nM | 7.06 | Increase of JNK phosphorylation in U50488 treated HEK293 cells expressing GFP ta... | 17702750 |
| Mas-related G-protein coupled receptor member X2 | EC50 | = | 6456.54 | nM | 5.19 | Agonist activity at N-terminal Flag-tagged human MRGPRX2 receptor expressed in t... | 28288109 |
| Mas-related G-protein coupled receptor member X2 | EC50 | = | 8340.0 | nM | 5.08 | Agonist activity at N-terminal Flag-tagged human MRGPRX2 receptor expressed in t... | 28288109 |
| Mas-related G-protein coupled receptor member X2 | EC50 | = | 33113.11 | nM | 4.48 | Agonist activity at MRGPRX2 (unknown origin) expressed in HTLA cells assessed as... | 28288109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28288109 | 10.1038/nchembio.2334 | Mas-related G-protein coupled receptor member X2 | 5 |
| 17702750 | 10.1074/jbc.m705540200 | c-Jun N-terminal kinase, JNK | 2 |
| 23796454 | 10.1016/j.bmcl.2013.05.090 | Unchecked | 1 |
| 28288109 | 10.1038/nchembio.2334 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine