Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | ||
Ligand | BDBM50017299 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1362418 (CHEMBL3292526) | ||
IC50 | 0.063096±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: |
| ||
BDBM50017299 | |||
n/a | |||
Name | BDBM50017299 | ||
Synonyms: | CHEMBL3288011 | ||
Type | Small organic molecule | ||
Emp. Form. | C40H44FN7O3 | ||
Mol. Mass. | 689.8209 | ||
SMILES | C[C@H]1CN(Cc2ccc(cc2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cn4c(C)cccc4n3)c2)C[C@@H](C)N1 |r,wU:30.35,27.28,48.54,1.0,(14.61,-38.85,;15.94,-38.08,;15.93,-36.55,;17.26,-35.78,;17.25,-34.25,;15.92,-33.49,;14.59,-34.26,;13.25,-33.5,;13.24,-31.96,;14.57,-31.17,;15.91,-31.94,;11.91,-31.19,;10.57,-31.98,;9.23,-31.2,;9.23,-29.66,;10.57,-28.89,;10.56,-27.35,;9.23,-26.58,;7.89,-27.36,;6.54,-26.58,;6.55,-25.03,;5.21,-24.26,;7.88,-24.26,;9.22,-25.02,;10.55,-24.25,;10.55,-22.71,;11.89,-25.01,;13.22,-24.24,;14.57,-25.01,;15.9,-24.25,;15.9,-22.7,;14.56,-21.93,;13.22,-22.71,;17.24,-21.93,;18.58,-22.7,;18.58,-24.25,;19.81,-21.78,;19.79,-20.26,;21.25,-19.76,;21.85,-18.36,;20.93,-17.13,;23.37,-18.17,;24.29,-19.41,;23.68,-20.82,;22.16,-21,;21.28,-22.25,;11.9,-29.65,;18.59,-36.53,;18.6,-38.07,;19.93,-38.84,;17.27,-38.85,)| | ||
Structure |