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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Transitional endoplasmic reticulum ATPase | ||
| Ligand | BDBM50040536 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1443970 (CHEMBL3375358) | ||
| IC50 | 474±n/a nM | ||
| Citation |  Cervi, G; Magnaghi, P; Asa, D; Avanzi, N; Badari, A; Borghi, D; Caruso, M; Cirla, A; Cozzi, L; Felder, E; Galvani, A; Gasparri, F; Lomolino, A; Magnuson, S; Malgesini, B; Motto, I; Pasi, M; Rizzi, S; Salom, B; Sorrentino, G; Troiani, S; Valsasina, B; O'Brien, T; Isacchi, A; Donati, D; D'Alessio, R Discovery of 2-(cyclohexylmethylamino)pyrimidines as a new class of reversible valosine containing protein inhibitors. J Med Chem57:10443-54 (2014) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Transitional endoplasmic reticulum ATPase | |||
| Name: | Transitional endoplasmic reticulum ATPase | ||
| Synonyms: | TERA_HUMAN | Transitional endoplasmic reticulum ATPase | VCP | Valosin containing protein, p97 subunit | Valosin-containing protein | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 89300.63 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P55072 | ||
| Residue: | 806 | ||
| Sequence: |
| ||
| BDBM50040536 | |||
| n/a | |||
| Name | BDBM50040536 | ||
| Synonyms: | CHEMBL3361199 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H28FN5O | ||
| Mol. Mass. | 433.5211 | ||
| SMILES | NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3cccc(F)c3)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(57.75,-56.4,;56.42,-57.17,;56.42,-58.71,;55.09,-56.4,;53.75,-57.17,;52.41,-56.4,;52.41,-54.86,;51.09,-54.09,;51.09,-52.55,;49.75,-51.78,;48.41,-52.55,;47.08,-51.78,;45.75,-52.55,;45.75,-54.09,;44.41,-54.86,;43.08,-54.09,;41.75,-54.86,;41.75,-56.4,;43.08,-57.17,;43.08,-58.71,;44.41,-56.4,;47.08,-50.24,;48.41,-49.47,;49.75,-50.24,;48.41,-47.93,;47.08,-47.16,;47.08,-45.62,;48.41,-44.85,;49.75,-45.62,;49.75,-47.16,;53.75,-54.09,;55.09,-54.86,)| | ||
| Structure | 
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