Reaction Details Report a problem with these data
Target
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
Ligand
BDBM50017300
Substrate
n/a
Meas. Tech.
ChEMBL_1362418 (CHEMBL3292526)
IC50
0.010000±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:
BDBM50017300
Synonyms:
CHEMBL3287987
Type:
Small organic molecule
Emp. Form.:
C36H41FN6O5
Mol. Mass.:
656.7463
SMILES:
Cc1cc(nn1C)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCCOCC1 |r,wU:13.17,10.10,(38.69,-2.82,;38.26,-4.29,;36.82,-4.82,;36.87,-6.34,;38.34,-6.79,;39.21,-5.51,;40.75,-5.46,;35.65,-7.29,;35.65,-8.83,;34.31,-6.52,;32.98,-7.29,;32.98,-8.83,;31.65,-9.6,;30.31,-8.82,;30.31,-7.29,;31.64,-6.52,;28.98,-9.6,;27.64,-8.83,;27.64,-7.29,;26.31,-9.61,;24.98,-8.84,;23.65,-9.61,;22.31,-8.84,;23.65,-11.16,;24.98,-11.93,;26.32,-11.16,;27.65,-11.92,;27.65,-13.46,;26.32,-14.23,;26.32,-15.77,;27.66,-16.54,;28.99,-15.76,;28.99,-14.22,;30.33,-16.52,;30.33,-18.06,;31.67,-18.82,;33,-18.05,;34.34,-18.81,;32.99,-16.5,;31.65,-15.74,;31.64,-14.2,;32.97,-13.42,;32.84,-11.9,;33.96,-10.84,;35.48,-11.04,;36.26,-12.37,;35.72,-13.81,;34.25,-14.28,)|