Reaction Details Report a problem with these data
Target
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
Ligand
BDBM50017319
Substrate
n/a
Meas. Tech.
ChEMBL_1362418 (CHEMBL3292526)
IC50
0.050119±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:
BDBM50017319
Synonyms:
CHEMBL3288005
Type:
Small organic molecule
Emp. Form.:
C38H40FN7O5
Mol. Mass.:
693.7665
SMILES:
Cc1cc(C)n2ncc(C(=O)N[C@H]3CC[C@H](CC3)NC(=O)c3cc(F)cnc3Oc3cccc(c3)-c3ccc(O)cc3CN3CCOCC3)c2n1 |r,wU:12.11,15.18,(20.6,-25.45,;20.12,-23.99,;21.15,-22.84,;20.67,-21.39,;21.7,-20.25,;19.18,-21.08,;18.41,-19.75,;16.91,-20.07,;16.75,-21.58,;15.42,-22.35,;15.42,-23.89,;14.08,-21.57,;12.74,-22.35,;12.74,-23.89,;11.41,-24.66,;10.07,-23.88,;10.06,-22.35,;11.4,-21.57,;8.73,-24.66,;7.4,-23.89,;7.39,-22.35,;6.06,-24.67,;4.73,-23.91,;3.39,-24.67,;2.05,-23.91,;3.39,-26.22,;4.73,-27,;6.07,-26.22,;7.4,-26.99,;7.41,-28.54,;6.07,-29.3,;6.07,-30.84,;7.41,-31.62,;8.75,-30.83,;8.74,-29.29,;10.08,-31.6,;10.09,-33.14,;11.43,-33.9,;12.76,-33.13,;14.1,-33.89,;12.75,-31.58,;11.41,-30.82,;11.4,-29.27,;12.73,-28.49,;14.06,-29.26,;15.39,-28.49,;15.39,-26.95,;14.05,-26.19,;12.71,-26.96,;18.15,-22.22,;18.62,-23.67,)|