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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Endoplasmin | ||
| Ligand | BDBM50587117 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2170974 (CHEMBL5056108) | ||
| IC50 | 519±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: |
| ||
| BDBM50587117 | |||
| n/a | |||
| Name | BDBM50587117 | ||
| Synonyms: | CHEMBL5087889 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H28N2O2 | ||
| Mol. Mass. | 328.4485 | ||
| SMILES | CC(C)CCC#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O |r,wU:12.11,wD:15.15,(74.28,-19.33,;72.96,-18.55,;71.62,-19.3,;72.97,-17.01,;71.65,-16.22,;71.66,-14.68,;71.68,-13.15,;71.68,-11.61,;73.01,-10.84,;73.01,-9.29,;71.67,-8.52,;71.67,-6.98,;73,-6.21,;72.99,-4.68,;74.33,-3.9,;75.67,-4.67,;77,-3.91,;75.67,-6.22,;74.34,-6.98,;70.34,-9.29,;70.34,-10.84,;69.01,-8.52,;67.68,-9.29,;69.01,-6.98,)| | ||
| Structure | 
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