Reaction Details Report a problem with these data
Target
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
Ligand
BDBM50017312
Substrate
n/a
Meas. Tech.
ChEMBL_1362418 (CHEMBL3292526)
IC50
0.050119±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:
BDBM50017312
Synonyms:
CHEMBL3287998
Type:
Small organic molecule
Emp. Form.:
C35H34F2N6O4
Mol. Mass.:
640.6791
SMILES:
CN(C)Cc1cc(O)ccc1-c1cccc(Oc2ncc(F)cc2C(=O)N[C@@H]2CC[C@@H](CC2)NC(=O)c2cn3cc(F)ccc3n2)c1 |r,wU:30.35,27.28,(39.15,-11.76,;37.81,-10.99,;37.8,-9.46,;36.48,-11.77,;36.5,-13.31,;37.83,-14.07,;37.85,-15.62,;39.19,-16.38,;36.51,-16.39,;35.18,-15.63,;35.17,-14.09,;33.84,-13.33,;32.5,-14.11,;31.17,-13.34,;31.16,-11.8,;32.5,-11.03,;32.5,-9.49,;31.16,-8.72,;29.82,-9.49,;28.48,-8.72,;28.48,-7.17,;27.15,-6.41,;29.82,-6.4,;31.16,-7.16,;32.49,-6.39,;32.48,-4.85,;33.82,-7.15,;35.15,-6.38,;36.5,-7.15,;37.82,-6.39,;37.82,-4.85,;36.49,-4.07,;35.15,-4.85,;39.17,-4.07,;40.5,-4.85,;40.5,-6.39,;41.72,-3.9,;41.67,-2.37,;43.12,-1.85,;43.69,-.44,;45.21,-.23,;45.78,1.21,;46.15,-1.44,;45.57,-2.86,;44.06,-3.07,;43.2,-4.34,;33.83,-11.79,)|