Target
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
Ligand
BDBM50017333
Substrate
n/a
Meas. Tech.
ChEMBL_1362418 (CHEMBL3292526)
IC50
0.031623±n/a nM
Citation
 De Savi, CCox, RJWarner, DJCook, ARDickinson, MRMcDonough, AMorrill, LCParker, BAndrews, GYoung, SSGilmour, PSRiley, RDearman, 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:
BDBM50017333
Synonyms:
CHEMBL3288022
Type:
Small organic molecule
Emp. Form.:
C37H44FN7O4
Mol. Mass.:
669.7882
SMILES:
C[C@H]1CN(Cc2ccc(cc2O)-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:31.36,28.29,46.51,1.0,(19.64,-20.1,;18.31,-19.33,;16.99,-20.1,;15.66,-19.33,;14.33,-20.11,;13,-19.35,;11.67,-20.12,;10.33,-19.36,;10.33,-17.82,;11.65,-17.04,;12.99,-17.8,;14.31,-17.02,;8.99,-17.05,;7.65,-17.84,;6.32,-17.06,;6.32,-15.52,;7.65,-14.76,;7.65,-13.22,;6.31,-12.44,;4.97,-13.22,;3.63,-12.44,;3.63,-10.9,;2.3,-10.13,;4.97,-10.13,;6.31,-10.89,;7.64,-10.12,;7.63,-8.58,;8.98,-10.88,;10.31,-10.11,;11.65,-10.88,;12.98,-10.11,;12.98,-8.57,;11.64,-7.8,;10.3,-8.57,;14.32,-7.8,;15.66,-8.57,;15.66,-10.11,;16.87,-7.62,;16.82,-6.1,;18.27,-5.58,;18.7,-4.1,;19.22,-6.79,;20.76,-6.74,;18.35,-8.07,;8.98,-15.52,;15.64,-17.8,;16.97,-17.03,;16.97,-15.5,;18.31,-17.8,)|
Structure:
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