Reaction Details Report a problem with these data
Target
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
Ligand
BDBM50017339
Substrate
n/a
Meas. Tech.
ChEMBL_1362418 (CHEMBL3292526)
IC50
0.039811±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:
BDBM50017339
Synonyms:
CHEMBL3288028
Type:
Small organic molecule
Emp. Form.:
C41H50FN7O3
Mol. Mass.:
707.8792
SMILES:
Cc1cc(nn1C)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(CCN2CCC(CC2)N2CCCC2)cc1 |r,wU:10.10,13.17,(20.81,-18.66,;20.38,-20.13,;18.93,-20.66,;18.98,-22.18,;20.46,-22.63,;21.33,-21.35,;22.87,-21.3,;17.76,-23.13,;17.76,-24.67,;16.43,-22.36,;15.08,-23.13,;15.08,-24.67,;13.75,-25.44,;12.41,-24.67,;12.4,-23.13,;13.74,-22.36,;11.08,-25.44,;9.74,-24.68,;9.73,-23.14,;8.41,-25.45,;7.07,-24.69,;5.73,-25.46,;4.4,-24.69,;5.73,-27.01,;7.07,-27.78,;8.41,-27.01,;9.75,-27.78,;9.75,-29.32,;8.41,-30.09,;8.42,-31.63,;9.75,-32.4,;11.09,-31.62,;11.08,-30.08,;12.43,-32.38,;12.43,-33.93,;13.77,-34.69,;15.1,-33.91,;16.44,-34.67,;17.77,-33.9,;19.1,-34.66,;19.1,-36.19,;20.42,-36.95,;21.75,-36.19,;21.75,-34.65,;20.41,-33.88,;23.08,-36.95,;23.24,-38.48,;24.74,-38.8,;25.51,-37.46,;24.47,-36.33,;15.09,-32.36,;13.75,-31.6,)|