Reaction Details  Report a problem with these data
Target
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
Ligand
BDBM50017302
Substrate
n/a
Meas. Tech.
ChEMBL_1362418 (CHEMBL3292526)
IC50
0.031623±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:
BDBM50017302
Synonyms:
CHEMBL3287989
Type:
Small organic molecule
Emp. Form.:
C32H34FN5O4S
Mol. Mass.:
603.707
SMILES:
CN(C)Cc1cc(O)ccc1-c1cccc(Oc2ncc(F)cc2C(=O)N[C@@H]2CC[C@@H](CC2)NC(=O)c2csc(C)n2)c1 |r,wU:27.28,30.35,(14.8,-31.05,;13.47,-30.29,;13.45,-28.75,;12.14,-31.07,;12.15,-32.61,;13.49,-33.36,;13.5,-34.91,;14.84,-35.67,;12.17,-35.69,;10.84,-34.92,;10.83,-33.38,;9.5,-32.62,;8.16,-33.4,;6.82,-32.63,;6.82,-31.1,;8.16,-30.33,;8.15,-28.79,;6.82,-28.02,;5.48,-28.79,;4.15,-28.02,;4.15,-26.48,;2.82,-25.71,;5.48,-25.7,;6.81,-26.47,;8.15,-25.69,;8.14,-24.15,;9.48,-26.46,;10.81,-25.68,;12.15,-26.46,;13.48,-25.69,;13.48,-24.15,;12.15,-23.38,;10.81,-24.15,;14.82,-23.38,;16.15,-24.15,;16.15,-25.69,;17.37,-23.2,;17.32,-21.68,;18.77,-21.16,;19.71,-22.37,;21.25,-22.33,;18.85,-23.65,;9.49,-31.09,)|
Structure:
Search PDB for entries with ligand similarity: