Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | ||
Ligand | BDBM50017331 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1362418 (CHEMBL3292526) | ||
IC50 | 0.100000±n/a nM | ||
Citation | De Savi, C; Cox, RJ; Warner, DJ; Cook, AR; Dickinson, MR; McDonough, A; Morrill, LC; Parker, B; Andrews, G; Young, SS; Gilmour, PS; Riley, R; Dearman, MS Efficacious inhaled PDE4 inhibitors with low emetic potential and long duration of action for the treatment of COPD. J Med Chem57:4661-76 (2014) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
cAMP-specific 3',5'-cyclic phosphodiesterase 4B | |||
Name: | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | ||
Synonyms: | 3',5'-cyclic phosphodiesterase | DPDE4 | Isoform PDE4B1 | PDE32 | PDE4B | PDE4B1 | PDE4B_HUMAN | Phosphodiesterase 4B | Phosphodiesterase 4B (PDE4B) | Phosphodiesterase 4B (PDE4B1) | Phosphodiesterase Type 4 (PDE4B) | ||
Type: | Protein | ||
Mol. Mass.: | 83318.87 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Q07343 | ||
Residue: | 736 | ||
Sequence: |
| ||
BDBM50017331 | |||
n/a | |||
Name | BDBM50017331 | ||
Synonyms: | CHEMBL3288020 | ||
Type | Small organic molecule | ||
Emp. Form. | C39H41F2N7O3 | ||
Mol. Mass. | 693.7847 | ||
SMILES | C[C@H]1CN(Cc2ccc(cc2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cn4cc(F)ccc4n3)c2)C[C@@H](C)N1 |r,wU:30.35,27.28,1.0,48.54,(12.02,-41.43,;13.35,-40.66,;13.34,-39.13,;14.67,-38.36,;14.66,-36.83,;13.32,-36.07,;11.99,-36.84,;10.66,-36.08,;10.65,-34.54,;11.97,-33.76,;13.31,-34.52,;9.32,-33.77,;7.98,-34.56,;6.64,-33.79,;6.64,-32.25,;7.98,-31.48,;7.97,-29.94,;6.64,-29.17,;5.3,-29.94,;3.96,-29.17,;3.96,-27.62,;2.63,-26.85,;5.3,-26.85,;6.63,-27.61,;7.96,-26.84,;7.96,-25.3,;9.3,-27.6,;10.63,-26.83,;11.97,-27.6,;13.3,-26.84,;13.3,-25.3,;11.97,-24.52,;10.63,-25.3,;14.64,-24.52,;15.98,-25.3,;15.98,-26.84,;17.2,-24.35,;17.15,-22.82,;18.6,-22.3,;19.18,-20.88,;20.71,-20.67,;21.28,-19.24,;21.66,-21.89,;21.07,-23.32,;19.54,-23.53,;18.67,-24.79,;9.31,-32.24,;16,-39.11,;16,-40.65,;17.34,-41.41,;14.68,-41.42,)| | ||
Structure |