Reaction Details Report a problem with these data
Target
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
Ligand
BDBM50017315
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:
BDBM50017315
Synonyms:
CHEMBL3288001
Type:
Small organic molecule
Emp. Form.:
C38H41FN4O6
Mol. Mass.:
668.7537
SMILES:
Cc1cccc(O)c1C(=O)N[C@@H]1CC[C@@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCCOCC1 |r,wU:11.11,14.18,(55.81,-27.02,;55.81,-25.48,;57.14,-24.72,;57.14,-23.18,;55.8,-22.41,;54.48,-23.18,;53.15,-22.42,;54.49,-24.71,;53.16,-25.48,;53.16,-27.02,;51.82,-24.7,;50.48,-25.48,;49.14,-24.7,;47.8,-25.48,;47.81,-27.02,;49.15,-27.79,;50.48,-27.02,;46.47,-27.79,;45.14,-27.03,;45.13,-25.48,;43.8,-27.8,;42.47,-27.04,;41.13,-27.81,;39.8,-27.04,;41.13,-29.35,;42.47,-30.13,;43.81,-29.35,;45.15,-30.12,;45.15,-31.67,;43.81,-32.43,;43.81,-33.97,;45.15,-34.75,;46.49,-33.96,;46.48,-32.42,;47.83,-34.73,;47.83,-36.27,;49.17,-37.03,;50.5,-36.26,;51.84,-37.02,;50.49,-34.71,;49.15,-33.95,;49.14,-32.4,;50.47,-31.63,;50.34,-30.1,;51.46,-29.04,;52.99,-29.25,;53.76,-30.58,;53.21,-32.02,;51.74,-32.48,)|