Reaction Details Report a problem with these data
Target
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
Ligand
BDBM50017298
Substrate
n/a
Meas. Tech.
ChEMBL_1362418 (CHEMBL3292526)
IC50
0.025119±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:
BDBM50017298
Synonyms:
CHEMBL3288010
Type:
Small organic molecule
Emp. Form.:
C39H42FN7O3
Mol. Mass.:
675.7943
SMILES:
C[C@H]1CN(Cc2ccc(cc2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cc4ccccn4n3)c2)C[C@@H](C)N1 |r,wU:30.35,27.28,47.53,1.0,(29.15,-21.92,;30.48,-21.15,;30.48,-19.62,;31.81,-18.86,;31.8,-17.32,;30.47,-16.56,;29.13,-17.33,;27.8,-16.57,;27.79,-15.03,;29.12,-14.25,;30.45,-15.01,;26.45,-14.26,;25.12,-15.05,;23.78,-14.28,;23.78,-12.73,;25.11,-11.97,;25.11,-10.42,;23.77,-9.65,;22.44,-10.43,;21.09,-9.65,;21.09,-8.1,;19.76,-7.34,;22.43,-7.34,;23.77,-8.1,;25.1,-7.32,;25.1,-5.78,;26.44,-8.09,;27.77,-7.31,;29.11,-8.09,;30.44,-7.32,;30.45,-5.78,;29.11,-5,;27.77,-5.78,;31.79,-5,;33.12,-5.78,;33.12,-7.32,;34.36,-4.86,;34.34,-3.33,;35.79,-2.83,;36.4,-1.43,;37.92,-1.24,;38.84,-2.48,;38.23,-3.89,;36.71,-4.07,;35.83,-5.32,;26.45,-12.73,;33.14,-19.6,;33.14,-21.14,;34.48,-21.91,;31.82,-21.92,)|