Reaction Details | |||
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Target | cGMP-specific 3',5'-cyclic phosphodiesterase | ||
Ligand | BDBM50196780 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1618821 (CHEMBL3860990) | ||
IC50 | 34±n/a nM | ||
Citation | Rabal, O; Sánchez-Arias, JA; Cuadrado-Tejedor, M; de Miguel, I; Pérez-González, M; García-Barroso, C; Ugarte, A; Estella-Hermoso de Mendoza, A; Sáez, E; Espelosin, M; Ursua, S; Haizhong, T; Wei, W; Musheng, X; Garcia-Osta, A; Oyarzabal, J Design, Synthesis, and Biological Evaluation of First-in-Class Dual Acting Histone Deacetylases (HDACs) and Phosphodiesterase 5 (PDE5) Inhibitors for the Treatment of Alzheimer's Disease. J Med Chem59:8967-9004 (2016) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
cGMP-specific 3',5'-cyclic phosphodiesterase | |||
Name: | cGMP-specific 3',5'-cyclic phosphodiesterase | ||
Synonyms: | 3',5'-cyclic phosphodiesterase | CGB-PDE | PDE5 | PDE5A | PDE5A_HUMAN | Phosphodiesterase 2 and 5 (PDE2 and PDE5) | Phosphodiesterase 5 (PDE5) | Phosphodiesterase 5A | Phosphodiesterase 5A (PDE5A) | cGMP-binding cGMP-specific phosphodiesterase | cGMP-specific 3',5'-cyclic phosphodiesterase | ||
Type: | Protein | ||
Mol. Mass.: | 99975.83 | ||
Organism: | Homo sapiens (Human) | ||
Description: | O76074 | ||
Residue: | 875 | ||
Sequence: |
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BDBM50196780 | |||
n/a | |||
Name | BDBM50196780 | ||
Synonyms: | CHEMBL3955253 | ||
Type | Small organic molecule | ||
Emp. Form. | C22H27N5O4 | ||
Mol. Mass. | 425.4809 | ||
SMILES | CCOc1ccc(C[C@H]2C[C@H](C2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 |r,wU:8.7,10.12,(57.87,-3.32,;57.87,-4.86,;59.21,-5.63,;59.21,-7.17,;57.88,-7.94,;57.88,-9.48,;59.22,-10.25,;59.23,-11.79,;60.57,-12.55,;62.04,-12.14,;62.45,-13.63,;60.96,-14.03,;63.79,-14.39,;63.79,-15.93,;65.12,-13.61,;66.45,-14.38,;60.55,-9.47,;60.54,-7.94,;61.87,-7.16,;63.2,-7.93,;64.53,-7.16,;65.99,-7.63,;66.47,-9.1,;67.97,-9.42,;66.89,-6.39,;65.99,-5.15,;66.47,-3.69,;64.53,-5.62,;63.2,-4.85,;63.2,-3.31,;61.87,-5.62,)| | ||
Structure |