Reaction Details | |||
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Target | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | ||
Ligand | BDBM50017294 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1362418 (CHEMBL3292526) | ||
IC50 | 0.025119±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: |
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BDBM50017294 | |||
n/a | |||
Name | BDBM50017294 | ||
Synonyms: | CHEMBL3288029 | ||
Type | Small organic molecule | ||
Emp. Form. | C41H50FN7O4S | ||
Mol. Mass. | 755.944 | ||
SMILES | C[C@H]1CN(Cc2ccc(c(CN3CCOCC3)c2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3nc(C)cs3)c2)C[C@@H](C)N1 |r,wU:37.43,34.36,1.0,51.57,(20.55,-53.47,;19.22,-52.7,;17.9,-53.47,;16.57,-52.7,;15.24,-53.48,;13.91,-52.72,;12.58,-53.49,;11.24,-52.73,;11.24,-51.19,;12.56,-50.4,;12.55,-48.86,;13.88,-48.09,;15.21,-48.85,;16.54,-48.08,;16.53,-46.54,;15.2,-45.78,;13.86,-46.55,;13.9,-51.17,;9.9,-50.42,;8.56,-51.21,;7.23,-50.43,;7.22,-48.89,;8.56,-48.13,;8.56,-46.58,;7.22,-45.81,;5.88,-46.59,;4.54,-45.81,;4.54,-44.27,;3.21,-43.5,;5.88,-43.5,;7.22,-44.26,;8.55,-43.49,;8.54,-41.94,;9.88,-44.25,;11.22,-43.48,;12.56,-44.25,;13.89,-43.48,;13.89,-41.94,;12.55,-41.16,;11.21,-41.94,;15.23,-41.16,;16.57,-41.94,;16.57,-43.48,;17.78,-40.99,;19.26,-41.44,;20.12,-40.16,;21.66,-40.11,;19.18,-38.94,;17.73,-39.47,;9.89,-48.88,;16.55,-51.17,;17.88,-50.4,;17.88,-48.87,;19.22,-51.17,)| | ||
Structure |