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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Endoplasmin | ||
| Ligand | BDBM50587118 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2170974 (CHEMBL5056108) | ||
| IC50 | 251±n/a nM | ||
| Citation |  Xu, S; Guo, A; Chen, NN; Dai, W; Yang, HA; Xie, W; Wang, M; You, QD; Xu, XL Design and synthesis of Grp94 selective inhibitors based on Phe199 induced fit mechanism and their anti-inflammatory effects. Eur J Med Chem223:0 (2021) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Endoplasmin | |||
| Name: | Endoplasmin | ||
| Synonyms: | ENPL_CANLF | GRP94 | HSP90B1 | Heat shock protein 90 beta | TRA1 | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 92464.42 | ||
| Organism: | Canis familiaris | ||
| Description: | ChEMBL_1478277 | ||
| Residue: | 804 | ||
| Sequence: |
| ||
| BDBM50587118 | |||
| n/a | |||
| Name | BDBM50587118 | ||
| Synonyms: | CHEMBL5084137 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C18H22N2O2 | ||
| Mol. Mass. | 298.3795 | ||
| SMILES | NC(=O)c1cc(ccc1N[C@H]1CC[C@H](O)CC1)C#CC1CC1 |r,wU:10.10,wD:13.14,(3.94,-30.24,;5.27,-29.47,;5.27,-27.93,;6.61,-30.24,;6.61,-31.78,;7.94,-32.55,;9.28,-31.78,;9.27,-30.23,;7.94,-29.47,;7.93,-27.93,;9.26,-27.15,;9.26,-25.62,;10.6,-24.85,;11.93,-25.62,;13.27,-24.85,;11.93,-27.16,;10.6,-27.93,;7.94,-34.09,;7.93,-35.63,;7.91,-37.17,;7.13,-38.5,;8.67,-38.52,)| | ||
| Structure | 
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