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Target
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
Ligand
BDBM50017311
Substrate
n/a
Meas. Tech.
ChEMBL_1362418 (CHEMBL3292526)
IC50
0.031623±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 
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:
BDBM50017311
Synonyms:
CHEMBL3287997
Type:
Small organic molecule
Emp. Form.:
C39H41FN6O5
Mol. Mass.:
692.7784
SMILES:
Cc1cccc2nc(cn12)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCCOCC1 |r,wU:13.14,16.21,(37.17,-36.87,;38.11,-38.09,;39.63,-37.87,;40.58,-39.09,;39.99,-40.51,;38.48,-40.72,;37.62,-41.99,;36.14,-41.54,;36.09,-40.02,;37.54,-39.5,;34.92,-42.49,;34.92,-44.03,;33.59,-41.72,;32.25,-42.49,;32.24,-44.04,;30.92,-44.8,;29.58,-44.03,;29.57,-42.5,;30.91,-41.72,;28.24,-44.8,;26.91,-44.04,;26.9,-42.5,;25.58,-44.81,;24.24,-44.05,;22.91,-44.82,;21.57,-44.05,;22.9,-46.36,;24.25,-47.14,;25.58,-46.36,;26.92,-47.14,;26.92,-48.68,;25.58,-49.44,;25.59,-50.98,;26.92,-51.76,;28.26,-50.97,;28.25,-49.43,;29.59,-51.73,;29.6,-53.28,;30.94,-54.04,;32.27,-53.26,;33.61,-54.02,;32.25,-51.71,;30.92,-50.95,;30.91,-49.41,;32.23,-48.64,;32.11,-47.11,;33.23,-46.06,;34.75,-46.27,;35.52,-47.59,;34.98,-49.03,;33.51,-49.5,)|
Structure:
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