Reaction Details | |||
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Target | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B | ||
Ligand | BDBM50357234 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_788284 (CHEMBL1919547) | ||
IC50 | >2000±n/a nM | ||
Citation | Hughes, RO; Maddux, T; Joseph Rogier, D; Lu, S; Walker, JK; Jon Jacobsen, E; Rumsey, JM; Zheng, Y; Macinnes, A; Bond, BR; Han, S Investigation of the pyrazinones as PDE5 inhibitors: evaluation of regioisomeric projections into the solvent region. Bioorg Med Chem Lett21:6348-52 (2011) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B | |||
Name: | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B | ||
Synonyms: | 63 kDa Cam-PDE | Calcium/calmodulin-dependent 3 ,5 -cyclic nucleotide phosphodiesterase 1B | Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B | Cam-PDE 1B | PDE1B | PDE1B1 | PDE1B_HUMAN | PDES1B | Phosphodiesterase 1B | Phosphodiesterase 1B (PDE1B1) | Phosphodiesterase Type 1 (PDE1B) | Phosphodiesterase, PDE1/PDE5 | ||
Type: | Enzyme | ||
Mol. Mass.: | 61366.51 | ||
Organism: | Homo sapiens (Human) | ||
Description: | n/a | ||
Residue: | 536 | ||
Sequence: |
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BDBM50357234 | |||
n/a | |||
Name | BDBM50357234 | ||
Synonyms: | CHEMBL1916475 | ||
Type | Small organic molecule | ||
Emp. Form. | C23H30N6O4 | ||
Mol. Mass. | 454.5221 | ||
SMILES | CCCOCCn1c2cc(nnc2c(NC2CCC(O)CC2)nc1=O)-c1ccc(OC)nc1 |(22.74,-11.54,;21.41,-12.31,;20.07,-11.54,;18.74,-12.31,;18.74,-13.85,;17.41,-14.62,;17.41,-16.16,;18.74,-16.94,;20.06,-16.18,;21.39,-16.94,;21.39,-18.48,;20.06,-19.25,;18.73,-18.48,;17.41,-19.24,;17.41,-20.78,;16.08,-21.56,;14.75,-20.78,;13.42,-21.54,;13.41,-23.08,;12.08,-23.85,;14.75,-23.86,;16.09,-23.09,;16.08,-18.48,;16.08,-16.94,;14.74,-16.18,;22.71,-16.16,;22.71,-14.63,;24.03,-13.85,;25.38,-14.61,;26.71,-13.84,;28.04,-14.6,;25.38,-16.16,;24.05,-16.93,)| | ||
Structure |