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Target
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
Ligand
BDBM50017334
Substrate
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 Chem 57:4661-76 (2014) [PubMed]  Article 
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:
BDBM50017334
Synonyms:
CHEMBL3288023
Type:
Small organic molecule
Emp. Form.:
C37H44FN7O3
Mol. Mass.:
653.7888
SMILES:
C[C@H]1CN(Cc2cccc(c2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cc(C)n(C)n3)c2)C[C@@H](C)N1 |r,wU:45.50,1.0,30.35,27.28,(39.54,-20.15,;39.6,-18.61,;38.31,-17.8,;38.37,-16.27,;37.04,-15.51,;35.71,-16.29,;35.73,-17.84,;34.39,-18.61,;33.06,-17.85,;33.05,-16.3,;34.38,-15.52,;31.72,-15.54,;30.38,-16.33,;29.04,-15.55,;29.04,-14.01,;30.38,-13.25,;30.37,-11.7,;29.04,-10.93,;27.7,-11.71,;26.36,-10.93,;26.36,-9.39,;25.02,-8.62,;27.7,-8.62,;29.03,-9.38,;30.36,-8.61,;30.36,-7.06,;31.7,-9.37,;33.03,-8.6,;34.37,-9.37,;35.7,-8.6,;35.7,-7.06,;34.37,-6.29,;33.03,-7.06,;37.05,-6.28,;38.38,-7.06,;38.38,-8.6,;39.6,-6.11,;39.55,-4.59,;41,-4.06,;41.43,-2.59,;41.94,-5.28,;43.49,-5.23,;41.08,-6.56,;31.71,-14,;39.72,-15.54,;41.02,-16.37,;42.38,-15.65,;40.96,-17.9,)|
Structure:
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