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Target
Phosphodiesterase
Ligand
BDBM140093
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
6.5±n/a
Temperature
277.15±n/a K
IC50
1700±n/a nM
Comments
extracted
Citation
 Inoue, H; Murafuji, H; Hayashi, Y Thienopyrazole derivative having PDE7 inhibitory activity US Patent  US8901315 Publication Date 12/2/2014 
Target
Name:
Phosphodiesterase
Synonyms:
Phosphodiesterase 4 (PDE4)
Type:
Protein
Mol. Mass.:
82059.36
Organism:
Mus musculus (Mouse)
Description:
Q8VBU5
Residue:
721
Sequence:
MTAKNSPKEFTASESEVCIKTFKEQMRLELELPKLPGNRPTSPKISPRSSPRNSPCFFRKLLVNKSIRQRRRFTVAHTCFDVENGPSPGRSPLDPQAGSSSGLVLHAAFPGHSQRRESFLYRSDSDYDLSPKAMSRNSSLPSEQHGDDLIVTPFAQVLASLRSVRNNFTLLTNLHGAPNKRSPAASQAPVSRVSLQEESYQKLAMETLEELDWCLDQLETIQTYRSVSEMASNKFKRMLNRELTHLSEMSRSGNQVSEYISNTFLDKQNDVEIPSPTQKDREKKKKQQLMTQISGVKKLMHSSSLNNTSISRFGVNTENEDHLAKELEDLNKWGLNIFNVAGYSHNRPLTCIMYAIFQERDLLKTFKISSDTFVTYMMTLEDHYHSDVAYHNSLHAADVAQSTHVLLSTPALDAVFTDLEILAAIFAAAIHDVDHPGVSNQFLINTNSELALMYNDESVLENHHLAVGFKLLQEEHCDIFQNLTKKQRQTLRKMVIDMVLATDMSKHMSLLADLKTMVETKKVTSSGVLLLDNYTDRIQVLRNMVHCADLSNPTKSLELYRQWTDRIMEEFFQQGDKERERGMEISPMCDKHTASVEKSQVGFIDYIVHPLWETWADLVQPDAQDILDTLEDNRNWYQSMIPQSPSPPLDERSRDCQGLMEKFQFELTLEEEDSEGPEKEGEGHSYFSSTKTLCVIDPENRDSLEETDIDIATEDKSPIDT
  
Inhibitor
Name:
BDBM140093
Synonyms:
US8901315, 176
Type:
Small organic molecule
Emp. Form.:
C24H36N4O2S
Mol. Mass.:
444.633
SMILES:
Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1CCC(O)CC1 |r,wU:18.20,wD:21.27,(-8.09,4.1,;-7.32,2.77,;-8.23,1.52,;-7.32,.27,;-7.72,-1.21,;-9.21,-1.61,;-9.6,-3.1,;-8.52,-4.19,;-7.03,-3.79,;-6.63,-2.3,;-5.86,.75,;-4.39,.27,;-3.49,1.52,;-4.39,2.77,;-5.86,2.29,;-1.95,1.52,;-1.18,.19,;-1.18,2.85,;.36,2.85,;1.13,4.19,;2.67,4.19,;3.44,2.85,;2.67,1.52,;1.13,1.52,;4.98,2.85,;5.75,1.52,;7.29,1.52,;8.06,2.85,;9.6,2.85,;7.29,4.19,;5.75,4.19,)|
Structure:
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