Reaction Details Report a problem with these data
Target
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
Ligand
BDBM50017329
Substrate
n/a
Meas. Tech.
ChEMBL_1362418 (CHEMBL3292526)
IC50
0.794328±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:
BDBM50017329
Synonyms:
CHEMBL3288018
Type:
Small organic molecule
Emp. Form.:
C36H37FN6O3
Mol. Mass.:
620.7158
SMILES:
CN(C)Cc1ccc(cc1)-c1cccc(Oc2ncc(F)cc2C(=O)N[C@@H]2CC[C@@H](CC2)NC(=O)c2cn3c(C)cccc3n2)c1 |r,wU:29.34,26.27,(15.65,-19.05,;16.97,-18.28,;18.3,-19.05,;16.96,-16.75,;15.63,-15.99,;14.3,-16.76,;12.96,-16,;12.96,-14.46,;14.28,-13.68,;15.62,-14.44,;11.62,-13.7,;10.29,-14.48,;8.95,-13.71,;8.95,-12.17,;10.29,-11.41,;10.28,-9.87,;8.95,-9.09,;7.61,-9.87,;6.27,-9.09,;6.27,-7.55,;4.94,-6.78,;7.61,-6.78,;8.94,-7.54,;10.27,-6.77,;10.27,-5.23,;11.61,-7.53,;12.94,-6.76,;14.28,-7.53,;15.61,-6.77,;15.61,-5.23,;14.27,-4.45,;12.94,-5.23,;16.95,-4.45,;18.28,-5.23,;18.28,-6.77,;19.5,-4.28,;19.45,-2.76,;20.9,-2.23,;21.48,-.81,;20.54,.4,;23.01,-.6,;23.96,-1.83,;23.37,-3.26,;21.84,-3.46,;20.98,-4.72,;11.62,-12.16,)|