Reaction Details Report a problem with these data
Target
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
Ligand
BDBM50017328
Substrate
n/a
Meas. Tech.
ChEMBL_1362418 (CHEMBL3292526)
IC50
0.079433±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:
BDBM50017328
Synonyms:
CHEMBL3288017
Type:
Small organic molecule
Emp. Form.:
C36H41FN6O4S
Mol. Mass.:
672.812
SMILES:
C[C@H]1CN(Cc2ccc(cc2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3csc(CO)n3)c2)C[C@@H](C)N1 |r,wU:30.35,27.28,1.0,45.50,(31.33,-40.56,;32.66,-39.79,;32.65,-38.27,;33.98,-37.5,;33.97,-35.96,;32.63,-35.2,;31.3,-35.98,;29.97,-35.22,;29.96,-33.67,;31.28,-32.89,;32.62,-33.65,;28.62,-32.91,;27.29,-33.7,;25.95,-32.92,;25.95,-31.38,;27.28,-30.61,;27.28,-29.07,;25.95,-28.3,;24.61,-29.08,;23.27,-28.3,;23.27,-26.75,;21.93,-25.99,;24.61,-25.99,;25.94,-26.75,;27.27,-25.98,;27.27,-24.43,;28.61,-26.74,;29.94,-25.97,;31.28,-26.74,;32.61,-25.97,;32.61,-24.43,;31.28,-23.65,;29.94,-24.43,;33.95,-23.65,;35.29,-24.43,;35.29,-25.97,;36.51,-23.48,;36.46,-21.96,;37.91,-21.43,;38.85,-22.65,;40.39,-22.6,;41.2,-23.91,;37.99,-23.93,;28.62,-31.37,;35.31,-38.25,;35.32,-39.79,;36.65,-40.55,;33.99,-40.56,)|