Reaction Details Report a problem with these data
Target
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
Ligand
BDBM50017336
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:
BDBM50017336
Synonyms:
CHEMBL3288025
Type:
Small organic molecule
Emp. Form.:
C37H44FN7O4
Mol. Mass.:
669.7882
SMILES:
C[C@H]1CN(Cc2cc(O)cc(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:46.51,1.0,31.36,28.29,(42.43,-41.61,;42.45,-40.08,;41.13,-39.3,;41.14,-37.77,;39.79,-37.06,;38.46,-37.83,;38.47,-39.39,;37.14,-40.16,;37.15,-41.69,;35.81,-39.4,;35.8,-37.85,;37.12,-37.07,;34.46,-37.09,;33.13,-37.88,;31.79,-37.1,;31.79,-35.56,;33.12,-34.8,;33.12,-33.25,;31.79,-32.48,;30.45,-33.26,;29.1,-32.48,;29.11,-30.93,;27.77,-30.17,;30.44,-30.17,;31.78,-30.93,;33.11,-30.16,;33.11,-28.61,;34.45,-30.92,;35.78,-30.15,;37.12,-30.92,;38.45,-30.15,;38.45,-28.61,;37.12,-27.83,;35.78,-28.61,;39.8,-27.83,;41.13,-28.61,;41.13,-30.15,;42.35,-27.66,;42.3,-26.13,;43.75,-25.61,;44.18,-24.14,;44.69,-26.83,;46.23,-26.78,;43.83,-28.11,;34.46,-35.55,;42.47,-37,;43.79,-37.79,;45.13,-37.03,;43.78,-39.32,)|