Reaction Details Report a problem with these data
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, 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:
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,)|