Reaction Details | |||
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Target | Phosphodiesterase | ||
Ligand | BDBM50058065 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1452390 (CHEMBL3361696) | ||
IC50 | 4900±n/a nM | ||
Citation | Amata, E; Bland, ND; Hoyt, CT; Settimo, L; Campbell, RK; Pollastri, MP Repurposing human PDE4 inhibitors for neglected tropical diseases: design, synthesis and evaluation of cilomilast analogues as Trypanosoma brucei PDEB1 inhibitors. Bioorg Med Chem Lett24:4084-9 (2014) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Phosphodiesterase | |||
Name: | Phosphodiesterase | ||
Synonyms: | Class 1 phosphodiesterase PDEB1 | Class I phosphodiesterase B1 (TbrPDEB1) | PDEB1 | ||
Type: | Protein | ||
Mol. Mass.: | 103683.20 | ||
Organism: | Trypanosoma brucei | ||
Description: | n/a | ||
Residue: | 930 | ||
Sequence: |
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BDBM50058065 | |||
n/a | |||
Name | BDBM50058065 | ||
Synonyms: | CHEMBL3323132 | ||
Type | Small organic molecule | ||
Emp. Form. | C26H31NO5 | ||
Mol. Mass. | 437.528 | ||
SMILES | COc1ccc(cc1OCCCCOc1ccc(C)cc1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:24.29,21.32,(11.04,-15.82,;11.04,-14.28,;12.38,-13.51,;13.71,-14.28,;15.05,-13.51,;15.04,-11.96,;13.71,-11.19,;12.38,-11.96,;11.05,-11.19,;11.05,-9.65,;9.71,-8.88,;9.71,-7.34,;8.38,-6.57,;7.04,-7.34,;5.71,-6.57,;5.72,-5.03,;4.38,-4.26,;3.05,-5.03,;1.71,-4.27,;3.05,-6.58,;4.39,-7.34,;16.37,-11.18,;17.71,-11.95,;19.03,-11.18,;19.04,-9.64,;17.7,-8.87,;16.36,-9.64,;20.37,-8.87,;21.71,-9.64,;20.37,-7.33,;16.36,-12.72,;16.35,-14.25,)| | ||
Structure |