Reaction Details Report a problem with these data
Target
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
Ligand
BDBM50017330
Substrate
n/a
Meas. Tech.
ChEMBL_1362418 (CHEMBL3292526)
IC50
0.125893±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:
BDBM50017330
Synonyms:
CHEMBL3288019
Type:
Small organic molecule
Emp. Form.:
C39H41FN6O4
Mol. Mass.:
676.779
SMILES:
Cc1cccc2nc(cn12)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(CN2CCCOCC2)cc1 |r,wU:13.14,16.21,(42.74,-.17,;43.68,-1.37,;45.21,-1.16,;46.16,-2.39,;45.58,-3.82,;44.05,-4.02,;43.18,-5.29,;41.7,-4.84,;41.65,-3.32,;43.1,-2.79,;40.48,-5.79,;40.48,-7.33,;39.15,-5.01,;37.81,-5.79,;37.81,-7.33,;36.48,-8.1,;35.14,-7.32,;35.13,-5.79,;36.47,-5.01,;33.81,-8.1,;32.47,-7.33,;32.46,-5.79,;31.14,-8.11,;29.8,-7.35,;28.47,-8.11,;27.13,-7.35,;28.47,-9.66,;29.81,-10.43,;31.14,-9.66,;32.48,-10.43,;32.48,-11.97,;31.15,-12.74,;31.15,-14.28,;32.49,-15.05,;33.82,-14.27,;33.81,-12.73,;35.16,-15.03,;35.16,-16.57,;36.5,-17.33,;37.83,-16.56,;39.16,-17.32,;39.17,-18.85,;40.55,-19.51,;40.9,-21,;39.96,-22.21,;38.43,-22.22,;37.46,-21.03,;37.79,-19.53,;37.82,-15.01,;36.48,-14.25,)|