Reaction Details Report a problem with these data
Target
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
Ligand
BDBM50017314
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:
BDBM50017314
Synonyms:
CHEMBL3288000
Type:
Small organic molecule
Emp. Form.:
C37H39FN4O6
Mol. Mass.:
654.7272
SMILES:
Cc1cccc(O)c1C(=O)N[C@@H]1CC[C@@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCOCC1 |r,wU:11.11,14.18,(36.27,-27.14,;36.28,-25.6,;37.61,-24.84,;37.61,-23.3,;36.27,-22.53,;34.95,-23.3,;33.61,-22.54,;34.95,-24.83,;33.62,-25.6,;33.62,-27.14,;32.29,-24.82,;30.94,-25.6,;29.61,-24.82,;28.27,-25.6,;28.27,-27.13,;29.61,-27.91,;30.94,-27.14,;26.94,-27.91,;25.6,-27.14,;25.6,-25.6,;24.27,-27.92,;22.93,-27.16,;21.6,-27.92,;20.26,-27.16,;21.59,-29.47,;22.94,-30.25,;24.28,-29.47,;25.61,-30.24,;25.61,-31.78,;24.28,-32.55,;24.28,-34.09,;25.62,-34.87,;26.96,-34.08,;26.95,-32.54,;28.29,-34.84,;28.3,-36.39,;29.63,-37.15,;30.97,-36.38,;32.31,-37.13,;30.95,-34.82,;29.62,-34.06,;29.6,-32.52,;30.93,-31.74,;32.27,-32.51,;33.59,-31.74,;33.59,-30.2,;32.25,-29.43,;30.92,-30.21,)|