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Target
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
Ligand
BDBM50017318
Substrate
n/a
Meas. Tech.
ChEMBL_1362418 (CHEMBL3292526)
IC50
2.5±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 Chem 57:4661-76 (2014) [PubMed] Article
More Info.:
Target
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:
MKKSRSVMTVMADDNVKDYFECSLSKSYSSSSNTLGIDLWRGRRCCSGNLQLPPLSQRQSERARTPEGDGISRPTTLPLTTLPSIAITTVSQECFDVENGPSPGRSPLDPQASSSAGLVLHATFPGHSQRRESFLYRSDSDYDLSPKAMSRNSSLPSEQHGDDLIVTPFAQVLASLRSVRNNFTILTNLHGTSNKRSPAASQPPVSRVNPQEESYQKLAMETLEELDWCLDQLETIQTYRSVSEMASNKFKRMLNRELTHLSEMSRSGNQVSEYISNTFLDKQNDVEIPSPTQKDREKKKKQQLMTQISGVKKLMHSSSLNNTSISRFGVNTENEDHLAKELEDLNKWGLNIFNVAGYSHNRPLTCIMYAIFQERDLLKTFRISSDTFITYMMTLEDHYHSDVAYHNSLHAADVAQSTHVLLSTPALDAVFTDLEILAAIFAAAIHDVDHPGVSNQFLINTNSELALMYNDESVLENHHLAVGFKLLQEEHCDIFMNLTKKQRQTLRKMVIDMVLATDMSKHMSLLADLKTMVETKKVTSSGVLLLDNYTDRIQVLRNMVHCADLSNPTKSLELYRQWTDRIMEEFFQQGDKERERGMEISPMCDKHTASVEKSQVGFIDYIVHPLWETWADLVQPDAQDILDTLEDNRNWYQSMIPQSPSPPLDEQNRDCQGLMEKFQFELTLDEEDSEGPEKEGEGHSYFSSTKTLCVIDPENRDSLGETDIDIATEDKSPVDT
Inhibitor
Name:
BDBM50017318
Synonyms:
CHEMBL3288004
Type:
Small organic molecule
Emp. Form.:
C35H36FN5O6
Mol. Mass.:
641.6886
SMILES:
Oc1ccc(c(CN2CCOCC2)c1)-c1cccc(Oc2ncc(F)cc2C(=O)N[C@@H]2CC[C@@H](CC2)NC(=O)c2cncc(O)c2)c1 |r,wU:33.39,30.32,(16.71,-34.22,;15.38,-33.46,;14.04,-34.24,;12.71,-33.47,;12.7,-31.93,;14.02,-31.15,;14.01,-29.61,;15.34,-28.83,;16.68,-29.6,;18,-28.83,;18,-27.29,;16.66,-26.52,;15.33,-27.3,;15.36,-31.91,;11.37,-31.17,;10.03,-31.95,;8.69,-31.18,;8.69,-29.64,;10.02,-28.87,;10.02,-27.33,;8.69,-26.56,;7.35,-27.33,;6.01,-26.56,;6.01,-25.01,;4.67,-24.24,;7.34,-24.24,;8.68,-25,;10.01,-24.23,;10.01,-22.69,;11.35,-24.99,;12.68,-24.22,;14.02,-24.99,;15.35,-24.23,;15.35,-22.68,;14.02,-21.91,;12.68,-22.69,;16.7,-21.91,;18.03,-22.68,;18.03,-24.23,;19.36,-21.92,;19.35,-20.39,;20.68,-19.62,;22.02,-20.39,;22.01,-21.93,;23.34,-22.7,;20.68,-22.69,;11.36,-29.63,)|