Reaction Details Report a problem with these data
Target
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
Ligand
BDBM50017324
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:
BDBM50017324
Synonyms:
CHEMBL3288012
Type:
Small organic molecule
Emp. Form.:
C37H44FN7O3
Mol. Mass.:
653.7888
SMILES:
C[C@H]1CN(Cc2ccc(cc2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cc(C)n(C)n3)c2)C[C@@H](C)N1 |r,wU:1.0,45.50,30.35,27.28,(21.25,-53.01,;19.92,-52.24,;18.6,-53.01,;17.27,-52.24,;15.95,-53.02,;14.62,-52.26,;13.28,-53.03,;11.95,-52.27,;11.94,-50.73,;13.26,-49.95,;14.6,-50.71,;10.61,-49.96,;9.27,-50.75,;7.93,-49.97,;7.93,-48.43,;9.26,-47.67,;9.26,-46.12,;7.93,-45.35,;6.59,-46.13,;5.25,-45.35,;5.25,-43.81,;3.91,-43.04,;6.58,-43.04,;7.92,-43.8,;9.25,-43.03,;9.25,-41.48,;10.59,-43.79,;11.92,-43.02,;13.26,-43.79,;14.59,-43.02,;14.59,-41.48,;13.26,-40.71,;11.92,-41.48,;15.94,-40.7,;17.27,-41.48,;17.27,-43.02,;18.49,-40.53,;18.44,-39.01,;19.89,-38.48,;20.32,-37.01,;20.83,-39.7,;22.36,-39.65,;19.97,-40.98,;10.6,-48.42,;17.26,-50.71,;18.59,-49.94,;18.59,-48.41,;19.92,-50.71,)|